UCSF

ZINC16945845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 24 No

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) 3.76 7.12 -39.84 0 4 -1 57 348.329 4
Lo Low (pH 4.5-6) 4.71 5.08 -53.27 2 4 1 60 350.345 3

Activity (Go SEA)

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