UCSF

ZINC31983238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 No

Popular Name: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-, monohydrochloride; 3a,4,7,7a-Tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-1H-isoindole-1,3(2H)-dione hydrochloride; Chlorowodorek N-(4-piperydyno-2-butinylo-1) imidu kwasu 1, 1H-Isoindole-1,3(2H)-dione, 3a,4…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.04 9.48 -36.18 1 4 1 42 287.383 2 ↓
Hi High (pH 8-9.5) 2.04 7.24 -8.82 0 4 0 41 286.375 2 ↓
Hi High (pH 8-9.5) 2.04 7.22 -7.84 0 4 0 41 286.375 2 ↓

Activity (Go SEA)

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