UCSF

ZINC35624131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) -0.15 1.08 -56.52 4 4 1 68 235.307 2
Hi High (pH 8-9.5) -0.15 0.68 -8.94 3 4 0 67 234.299 2

Activity (Go SEA)

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