UCSF

ZINC09353896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 36 No

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) 3.96 11.59 -79.29 2 7 0 94 486.568 9
Hi High (pH 8-9.5) 3.96 9.07 -63.64 1 7 -1 93 485.56 9
Mid Mid (pH 6-8) 3.37 -0.76 -48.38 2 7 1 88 487.576 9
Mid Mid (pH 6-8) 4.40 10.84 -45.98 3 7 1 92 487.576 8

Activity (Go SEA)

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