UCSF

ZINC43247796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) -0.26 -0.42 -44.64 5 4 1 74 228.341 5
Hi High (pH 8-9.5) -0.26 -1.43 -8.89 4 4 0 72 227.333 5

Activity (Go SEA)

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