UCSF

ZINC40807164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 16 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) 0.77 3.12 -97.32 5 4 2 61 231.384 6
Hi High (pH 8-9.5) 0.96 1.44 -62.81 4 4 1 67 230.376 6
Mid Mid (pH 6-8) 0.77 2.84 -38.7 4 4 1 60 230.376 6

Activity (Go SEA)

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