UCSF

ZINC31779221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 22 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) 2.62 9.8 -14.2 1 4 0 47 295.317 4
Mid Mid (pH 6-8) 2.62 10.28 -39.72 2 4 1 48 296.325 4

Activity (Go SEA)

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