UCSF

ZINC39376091

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 18 No

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) 1.53 1.83 -7.98 2 5 0 67 246.266 0
Hi High (pH 8-9.5) 1.72 -0.85 -46.4 1 5 -1 74 245.258 0

Activity (Go SEA)

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