UCSF

ZINC45322563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 33 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) 7.52 16.18 -25.75 2 5 1 57 462.639 8
Mid Mid (pH 6-8) 7.52 16.72 -18.17 1 5 0 56 461.631 8
Mid Mid (pH 6-8) 7.52 16.63 -37.57 2 5 1 60 462.639 8
Lo Low (pH 4.5-6) 7.52 16.53 -80.67 3 5 2 61 463.647 8

Activity (Go SEA)

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