UCSF

ZINC40389722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 25 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) 4.44 12.47 -46.96 1 4 1 31 338.475 8
Hi High (pH 8-9.5) 4.44 10.36 -8.72 0 4 0 30 337.467 8
Lo Low (pH 4.5-6) 4.44 13.13 -100.43 2 4 2 33 339.483 8

Activity (Go SEA)

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