UCSF

ZINC30688921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 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) 2.66 10.2 -16.24 1 4 0 47 295.386 4
Mid Mid (pH 6-8) 2.66 10.68 -43.29 2 4 1 48 296.394 4

Activity (Go SEA)

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