UCSF

ZINC37372983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.80 7.84 -10.33 1 4 0 62 246.273 2
Lo Low (pH 4.5-6) 2.80 8.31 -37.07 2 4 1 63 247.281 2

Activity (Go SEA)

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