UCSF

ZINC00388750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

Popular Name: N-(2-Hydroxyethyl)pyrrolidine N-(2-Hydroxyethyl)pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2955-88-6 , 30727-31-2 , N/A , [2955-88-6] , [30727-31-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.11 1.29 -29.05 2 2 1 25 116.184 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 79 - 81 (p=13 torr) Acros Organics
Boiling_Point 79-81? Alfa-Aesar
Purity 95% Fluorochem
UniProt Database Links AP5M1_HUMAN; COPA_BOVIN; COPA_CANFA; COPA_HUMAN; EPHB6_HUMAN; FAIM3_HUMAN; FTSK_CHLPN; HEPD_STRVR; HLDD_ACTP2; HLDD_ACTP7; HLDD_ACTPJ; HLDD_ACTSZ; HLDD_AERHH; HLDD_AERS4; HLDD_ALKEH; HLDD_AROAE; HLDD_AZOSB; HLDD_BORA1; HLDD_BORBR; HLDD_BORPA; HLDD_BORPD ChEBI
Patent Database Links EP1988108; US2004259857; WO2006023118; WO2007099117 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Purity ¡Ý98.0% APIChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.