UCSF

ZINC45699244

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.59 8.12 -95.36 3 4 2 47 246.395 10
Mid Mid (pH 6-8) 1.59 6.79 -35.46 2 4 1 43 245.387 10

Activity (Go SEA)

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