UCSF

ZINC05647415

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 15 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) 1.75 8.38 -28.65 6 5 1 91 214.337 9
Hi High (pH 8-9.5) 1.75 7.22 -6.23 5 5 0 89 213.329 9
Mid Mid (pH 6-8) 1.75 8.4 -8.36 5 5 0 89 213.329 9
Mid Mid (pH 6-8) 1.75 8.45 -8.41 5 5 0 89 213.329 9
Mid Mid (pH 6-8) 1.75 8.12 -7.01 5 5 0 89 213.329 9
Mid Mid (pH 6-8) 1.75 7.1 -35.75 6 5 1 91 214.337 9
Lo Low (pH 4.5-6) 1.75 8.25 -99.21 7 5 2 92 215.345 9

Activity (Go SEA)

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