UCSF

ZINC43248980

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.93 4.78 -56.43 3 4 1 51 296.46 3
Hi High (pH 8-9.5) 0.93 4.41 -7.94 2 4 0 50 295.452 3
Lo Low (pH 4.5-6) 0.93 6.48 -120.45 4 4 2 52 297.468 3

Activity (Go SEA)

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