UCSF

ZINC34617023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 9 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) 0.15 3.64 -39.74 1 2 1 22 126.179 0
Hi High (pH 8-9.5) 0.15 0.96 -5.19 0 2 0 20 125.171 0

Activity (Go SEA)

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