UCSF

ZINC33670557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 20 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) 1.13 8.25 -38.71 1 4 0 54 281.327 4
Hi High (pH 8-9.5) 1.13 6.9 -47.67 0 4 -1 53 280.319 4

Activity (Go SEA)

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