UCSF

ZINC44726914

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 0.92 1.95 -41.18 4 4 1 66 217.333 8
Mid Mid (pH 6-8) 0.92 1.62 -6.23 3 4 0 64 216.325 8

Activity (Go SEA)

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