UCSF

ZINC00417873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 5.03 -0.43 -8.7 1 3 0 29 311.816 3
Mid Mid (pH 6-8) 5.03 -0.25 -28.24 2 3 1 30 312.824 3

Activity (Go SEA)

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