UCSF

ZINC41680115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.41 4.16 -115.18 5 4 2 61 243.395 6
Mid Mid (pH 6-8) 1.41 3.94 -39.93 4 4 1 60 242.387 6

Activity (Go SEA)

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