UCSF

ZINC33342890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2009 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) 2.72 6.07 -5.57 0 4 0 39 281.396 4
Lo Low (pH 4.5-6) 2.72 8.25 -37.01 1 4 1 40 282.404 4

Activity (Go SEA)

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