UCSF

ZINC60781229

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2011 21 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) 0.38 2 -13.3 2 6 0 80 283.287 3
Lo Low (pH 4.5-6) 0.38 2.41 -45.71 3 6 1 82 284.295 3
Lo Low (pH 4.5-6) 0.57 -0.27 -44.85 3 6 1 85 284.295 3

Activity (Go SEA)

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