UCSF

ZINC43396109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 12 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) 0.66 0.84 -42.28 3 3 1 50 167.232 3
Hi High (pH 8-9.5) 0.66 0.43 -4.94 2 3 0 48 166.224 3

Activity (Go SEA)

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