UCSF

ZINC37205934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 1.50 4.59 -42.53 3 2 1 41 286.218 2
Mid Mid (pH 6-8) 1.50 4.29 -3.94 2 2 0 39 285.21 2

Activity (Go SEA)

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