UCSF

ZINC22943429

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) -5.51 4.39 -174.84 3 14 -3 226 431.378 15
Lo Low (pH 4.5-6) -5.51 6.28 -155.87 4 14 -2 228 432.386 15

Activity (Go SEA)

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