UCSF

ZINC04931138

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 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) 3.38 7.51 -15.43 2 5 0 71 315.348 6
Lo Low (pH 4.5-6) 3.38 7.3 -34.34 3 5 1 72 316.356 6

Activity (Go SEA)

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