UCSF

ZINC43968095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.45 5.9 -30.99 2 4 1 35 283.436 6
Hi High (pH 8-9.5) 2.45 4.31 -2.42 1 4 0 34 282.428 6
Hi High (pH 8-9.5) 2.45 5.57 -35.1 2 4 1 38 283.436 6

Activity (Go SEA)

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