UCSF

ZINC34416781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 11 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) -2.25 2.86 -79.02 4 4 1 72 161.225 5
Hi High (pH 8-9.5) -2.25 2.51 -45.08 3 4 0 71 160.217 5
Mid Mid (pH 6-8) -2.25 0.99 -32.39 3 4 0 71 160.217 5

Activity (Go SEA)

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