UCSF

ZINC19800832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 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) -0.23 3.54 -48.49 6 10 0 169 457.483 3
Hi High (pH 8-9.5) -0.23 5.69 -172.44 4 10 -2 174 455.467 3
Hi High (pH 8-9.5) -0.23 2.96 -135.08 4 10 -2 170 455.467 3
Mid Mid (pH 6-8) -0.96 1.33 -17.38 6 10 0 165 457.483 2
Mid Mid (pH 6-8) -0.23 4.71 -114.82 5 10 -1 171 456.475 3
Mid Mid (pH 6-8) -0.23 2.22 -52.22 5 10 -1 167 456.475 3
Lo Low (pH 4.5-6) -0.96 2.84 -47.67 7 10 1 166 458.491 2

Activity (Go SEA)

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