UCSF

ZINC43402194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.39 0.67 -94.68 4 6 2 80 244.339 7
Hi High (pH 8-9.5) 0.39 0.43 -37.39 3 6 1 79 243.331 7

Activity (Go SEA)

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