UCSF

ZINC43799280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.86 3.56 -48.45 2 6 1 68 280.348 6
Hi High (pH 8-9.5) -0.86 2.18 -11.4 1 6 0 64 279.34 6
Lo Low (pH 4.5-6) -0.86 4.03 -87.84 3 6 2 70 281.356 6

Activity (Go SEA)

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