UCSF

ZINC34616751

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) -1.54 3.39 -90.15 3 4 1 61 147.198 5
Hi High (pH 8-9.5) -1.54 1.96 -31.5 2 4 0 57 146.19 5
Mid Mid (pH 6-8) -1.54 1.14 -62.98 2 4 0 60 146.19 5

Activity (Go SEA)

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