UCSF

ZINC43260090

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) 2.61 5.69 -49.52 3 3 1 44 355.325 6
Hi High (pH 8-9.5) 2.61 4.87 -3.87 2 3 0 42 354.317 6
Mid Mid (pH 6-8) 2.61 7.17 -40.08 3 3 1 43 355.325 6
Mid Mid (pH 6-8) 2.61 7.5 -129.68 4 3 2 45 356.333 6

Activity (Go SEA)

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