UCSF

ZINC39702092

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 19 Yes

Other Names:

MFCD00871663

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) -0.65 -0.3 -50.56 1 9 -1 118 266.237 6
Lo Low (pH 4.5-6) -0.65 -0.31 -22.33 2 9 0 120 267.245 6

Activity (Go SEA)

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