UCSF

ZINC42472885

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.94 7.39 -121.27 4 2 2 32 242.451 6
Mid Mid (pH 6-8) 2.94 4.82 -41.39 3 2 1 31 241.443 6
Mid Mid (pH 6-8) 2.94 7 -28.16 3 2 1 30 241.443 6

Activity (Go SEA)

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