UCSF

ZINC40459738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) 1.70 4.66 -11.14 1 3 0 42 206.289 5
Lo Low (pH 4.5-6) 1.71 5.02 -36.71 2 3 1 43 207.297 5
Lo Low (pH 4.5-6) 1.89 3.45 -31.36 2 3 1 47 207.297 5

Activity (Go SEA)

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