UCSF

ZINC12402792

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.74 0.73 -12.42 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 0.74 -12.03 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 1.88 -13.12 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.74 0.56 -12.9 0 7 0 95 438.505 6
Lo Low (pH 4.5-6) 2.92 0.89 -37.7 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.74 2.05 -35.96 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.92 2.04 -35.92 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.74 0.72 -37.94 1 7 1 96 439.513 6

Activity (Go SEA)

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