UCSF

ZINC40692241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) 3.05 4.24 -6.32 0 4 0 41 424.158 3
Mid Mid (pH 6-8) 3.05 6.61 -39.39 1 4 1 42 425.166 3

Activity (Go SEA)

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