UCSF

ZINC44723805

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 2.42 6.05 -40.41 2 2 1 26 230.278 6
Mid Mid (pH 6-8) 2.42 4.8 -7.89 1 2 0 21 229.27 6

Activity (Go SEA)

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