UCSF

ZINC19800833

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 3.46 -49.71 6 10 0 169 457.483 3
Hi High (pH 8-9.5) -0.23 5.42 -168.28 4 10 -2 174 455.467 3
Hi High (pH 8-9.5) -0.23 2.49 -135.45 4 10 -2 170 455.467 3
Mid Mid (pH 6-8) -0.96 0.1 -16.94 6 10 0 165 457.483 2
Mid Mid (pH 6-8) -0.23 4.69 -114.17 5 10 -1 171 456.475 3
Mid Mid (pH 6-8) -0.23 1.48 -51.63 5 10 -1 167 456.475 3
Lo Low (pH 4.5-6) -0.96 1.97 -48.21 7 10 1 166 458.491 2

Activity (Go SEA)

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