UCSF

ZINC56166126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2010 25 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) 3.30 9.7 -14.55 1 6 0 78 339.395 5
Lo Low (pH 4.5-6) 3.30 10.36 -47.62 2 6 1 79 340.403 5

Activity (Go SEA)

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