UCSF

ZINC41055072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 20 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) 4.85 7.5 -29.92 2 3 1 35 285.754 3
Mid Mid (pH 6-8) 4.85 7.08 -7.73 1 3 0 34 284.746 3

Activity (Go SEA)

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