UCSF

ZINC43242130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 0.60 4.54 -44.49 3 4 1 51 282.433 5
Hi High (pH 8-9.5) 0.60 3.71 -10.25 2 4 0 50 281.425 5
Lo Low (pH 4.5-6) 0.60 5.88 -125.84 4 4 2 52 283.441 5

Activity (Go SEA)

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