UCSF

ZINC19489057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 No

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) 0.61 3.63 -7.45 3 5 0 75 234.303 2
Mid Mid (pH 6-8) 0.61 2.91 -38.22 4 5 1 76 235.311 2
Lo Low (pH 4.5-6) 0.61 3.95 -32.08 4 5 1 76 235.311 2
Lo Low (pH 4.5-6) 0.61 3.56 -32.95 4 5 1 76 235.311 2
Lo Low (pH 4.5-6) 0.61 3.74 -34.87 4 5 1 76 235.311 2

Activity (Go SEA)

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