UCSF

ZINC42464354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.89 6.38 -53.17 0 5 -1 70 240.279 4
Lo Low (pH 4.5-6) 0.89 4.39 -11.62 1 5 0 67 241.287 4

Activity (Go SEA)

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