UCSF

ZINC05297098

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 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) 5.66 8.3 -18.5 3 7 0 100 436.471 5
Mid Mid (pH 6-8) 5.66 10.1 -20.21 3 7 0 104 436.471 5
Lo Low (pH 4.5-6) 5.66 8.54 -42.83 4 7 1 101 437.479 5

Activity (Go SEA)

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