UCSF

ZINC43982238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.85 7.67 -90.15 3 3 2 24 259.482 10
Hi High (pH 8-9.5) 2.85 5.2 -34 2 3 1 23 258.474 10
Lo Low (pH 4.5-6) 2.85 9.07 -194.24 4 3 3 25 260.49 10

Activity (Go SEA)

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