UCSF

ZINC34670222

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 4.65 14.59 -48.22 1 4 1 38 442.674 10
Hi High (pH 8-9.5) 4.65 11.99 -10.65 0 4 0 36 441.666 10

Activity (Go SEA)

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