UCSF

ZINC41043110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) -0.94 -0.73 -8.8 1 4 0 56 172.228 7
Mid Mid (pH 6-8) -0.94 1.64 -46.32 2 4 1 58 173.236 7

Activity (Go SEA)

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