UCSF

ZINC05151040

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 24 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) 4.50 11.51 -42.1 0 3 -1 52 318.396 4
Mid Mid (pH 6-8) 3.59 10.84 -41.27 2 3 1 49 320.412 4
Lo Low (pH 4.5-6) 4.50 9.99 -14.42 1 3 0 50 319.404 4
Lo Low (pH 4.5-6) 4.50 9.98 -14.28 1 3 0 50 319.404 4
Lo Low (pH 4.5-6) 3.59 11.52 -8.76 1 3 0 46 319.404 4

Activity (Go SEA)

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