UCSF

ZINC42578958

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.31 4.9 -26.39 3 3 1 34 270.485 7
Hi High (pH 8-9.5) 2.31 7.13 -92.6 4 3 2 35 271.493 7
Hi High (pH 8-9.5) 2.31 6.37 -34.61 3 3 1 34 270.485 7
Mid Mid (pH 6-8) 2.31 5.37 -115.05 4 3 2 35 271.493 7
Mid Mid (pH 6-8) 2.31 5.8 -107.5 4 3 2 35 271.493 7
Lo Low (pH 4.5-6) 2.31 7.47 -215.28 5 3 3 37 272.501 7

Activity (Go SEA)

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