UCSF

ZINC50065139

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) -0.08 4.08 -44.03 1 6 1 70 228.272 7
Hi High (pH 8-9.5) -0.08 1.75 -12.4 0 6 0 68 227.264 7

Activity (Go SEA)

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