UCSF

ZINC56874744

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 33 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) -5.28 -16.52 -283.21 17 14 4 258 486.563 6
Hi High (pH 8-9.5) -5.28 -18.84 -10.74 13 14 0 248 482.531 6
Hi High (pH 8-9.5) -5.28 -17.98 -51 14 14 1 250 483.539 6
Hi High (pH 8-9.5) -5.28 -18.52 -46.86 14 14 1 250 483.539 6
Mid Mid (pH 6-8) -5.28 -16.78 -163.88 16 14 3 256 485.555 6
Mid Mid (pH 6-8) -5.28 -16.9 -189.44 16 14 3 256 485.555 6

Activity (Go SEA)

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