UCSF

ZINC05929716

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 Yes

CAS Number: 110871-86-8

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) 0.31 -1.2 -104.96 2 6 0 81 359.401 3

Activity (Go SEA)

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