UCSF

ZINC37046883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.47 1.87 -86.39 4 5 0 97 228.635 3
Hi High (pH 8-9.5) 0.47 1.48 -62.2 3 5 -1 95 227.627 3

Activity (Go SEA)

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