UCSF

ZINC04966116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 21 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) 2.95 8.88 -12.57 1 5 0 58 290.411 5
Lo Low (pH 4.5-6) 2.95 9.17 -35.17 2 5 1 59 291.419 5

Activity (Go SEA)

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