UCSF

ZINC34616674

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 0.59 2.99 -45.76 6 6 1 104 248.31 2
Hi High (pH 8-9.5) 1.05 0.95 -64.96 5 6 0 107 247.302 2

Activity (Go SEA)

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