UCSF

ZINC37128037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 4.54 11.24 -40.81 2 1 1 17 339.311 3
Mid Mid (pH 6-8) 4.54 10.32 -3.94 1 1 0 12 338.303 3

Activity (Go SEA)

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