UCSF

ZINC20300014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.35 4.8 -90.03 2 3 2 12 229.412 0
Hi High (pH 8-9.5) 1.35 1.96 -34.59 1 3 1 11 228.404 0

Activity (Go SEA)

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