UCSF

ZINC04970682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 20 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) 3.93 6.41 -5.96 0 3 0 27 288.778 3
Lo Low (pH 4.5-6) 3.93 7.9 -27.22 1 3 1 28 289.786 3

Activity (Go SEA)

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