UCSF

ZINC33010382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 26 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) 2.49 7.13 -69.38 2 7 0 90 356.426 5
Hi High (pH 8-9.5) 2.49 4.81 -50.43 1 7 -1 89 355.418 5
Mid Mid (pH 6-8) 2.49 7.38 -98.02 3 7 1 91 357.434 5
Mid Mid (pH 6-8) 2.49 5.06 -42.92 2 7 0 90 356.426 5

Activity (Go SEA)

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