UCSF

ZINC40402224

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 17 Yes

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) 1.11 4.49 -59.67 1 5 -1 78 233.247 4
Mid Mid (pH 6-8) 1.11 4.93 -57.19 2 5 0 79 234.255 4

Activity (Go SEA)

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