UCSF

ZINC42779174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.73 2.35 -7.02 1 5 0 58 225.292 6
Lo Low (pH 4.5-6) 0.73 2.45 -24.41 2 5 1 60 226.3 6

Activity (Go SEA)

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