UCSF

ZINC61797803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 15 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) -0.95 3.34 -54.7 2 5 1 57 212.273 2
Hi High (pH 8-9.5) -0.95 1.96 -17.83 1 5 0 53 211.265 2

Activity (Go SEA)

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