UCSF

ZINC04970410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 19 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) 3.27 5.61 -5.52 0 3 0 27 254.333 3
Lo Low (pH 4.5-6) 3.27 7.17 -27.1 1 3 1 28 255.341 3

Activity (Go SEA)

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