UCSF

ZINC42434484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) -1.68 -3.95 -16.8 3 8 0 123 275.286 3
Mid Mid (pH 6-8) -1.22 -5.68 -39.61 2 8 -1 126 274.278 3
Mid Mid (pH 6-8) -1.22 -6.53 -50.86 2 8 -1 126 274.278 3

Activity (Go SEA)

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