UCSF

ZINC43616924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 15 Yes

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) 3.30 6.08 -3.9 1 2 0 25 206.333 5
Mid Mid (pH 6-8) 3.30 6.52 -31.67 2 2 1 29 207.341 5
Lo Low (pH 4.5-6) 3.30 6.43 -25.07 2 2 1 26 207.341 5
Lo Low (pH 4.5-6) 3.30 7.06 -98.95 3 2 2 31 208.349 5

Activity (Go SEA)

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