UCSF

ZINC43248598

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) 3.38 5.69 -44.68 3 2 1 31 309.524 6
Hi High (pH 8-9.5) 3.38 5.38 -3.63 2 2 0 29 308.516 6
Mid Mid (pH 6-8) 3.38 7.41 -27.67 3 2 1 30 309.524 6
Mid Mid (pH 6-8) 3.38 7.69 -95.91 4 2 2 32 310.532 6

Activity (Go SEA)

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