UCSF

ZINC44509164

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) 1.10 4.66 -81.62 4 3 2 43 193.294 3
Mid Mid (pH 6-8) 1.10 4.19 -41.86 3 3 1 42 192.286 3

Activity (Go SEA)

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