UCSF

ZINC01693735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 Yes

CAS Number: 2130-76-9

Download: MOL2 SDF SMILES Flexibase

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) -0.85 2.61 -48.74 4 6 0 114 300.38 8
Hi High (pH 8-9.5) -0.85 2.28 -51.81 3 6 -1 112 299.372 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 231 - 234 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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