UCSF

ZINC42747308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 1.89 7.55 -30.62 3 2 1 30 249.422 5
Mid Mid (pH 6-8) 1.89 7.95 -123.27 4 2 2 32 250.43 5

Activity (Go SEA)

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