UCSF

ZINC40466247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 0.54 3.39 -12.11 0 5 0 50 228.292 4
Lo Low (pH 4.5-6) 0.54 5.53 -48.47 1 5 1 51 229.3 4

Activity (Go SEA)

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