UCSF

ZINC40924064

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 0.49 2.4 -25.68 3 5 0 74 217.289 5
Hi High (pH 8-9.5) 0.49 2.61 -9.42 2 5 0 73 216.281 5

Activity (Go SEA)

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