UCSF

ZINC43412170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.87 5.09 -73.35 2 6 0 82 238.291 5
Hi High (pH 8-9.5) 0.87 2.73 -50.95 1 6 -1 81 237.283 5
Lo Low (pH 4.5-6) 0.87 5.24 -92.59 3 6 1 84 239.299 5

Activity (Go SEA)

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