UCSF

ZINC13081229

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 32 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) 0.79 3.1 -102.09 6 8 2 118 440.544 14
Lo Low (pH 4.5-6) 0.79 3.36 -180.11 7 8 3 119 441.552 14
Lo Low (pH 4.5-6) 0.79 3.36 -179.78 7 8 3 119 441.552 14

Activity (Go SEA)

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