UCSF

ZINC37034873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.83 3.29 -47 3 2 1 31 233.257 5
Mid Mid (pH 6-8) 1.83 5.45 -103.57 4 2 2 32 234.265 5

Activity (Go SEA)

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