UCSF

ZINC44133590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.63 5.79 -6.1 1 3 0 36 284.403 6
Mid Mid (pH 6-8) 2.63 7.68 -35.46 2 3 1 38 285.411 6
Mid Mid (pH 6-8) 2.63 6.52 -31.56 2 3 1 38 285.411 6

Activity (Go SEA)

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