UCSF

ZINC43395922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) -1.39 2.64 -52.81 4 7 1 96 292.363 4
Mid Mid (pH 6-8) -1.39 1.35 -15.99 3 7 0 92 291.355 4
Lo Low (pH 4.5-6) -1.39 3.16 -86.89 5 7 2 97 293.371 4

Activity (Go SEA)

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