UCSF

ZINC43400841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.28 3.92 -33.54 4 4 1 68 207.301 4
Mid Mid (pH 6-8) 0.28 4 -5.46 3 4 0 66 206.293 4
Lo Low (pH 4.5-6) 0.28 4.33 -85.94 5 4 2 69 208.309 4

Activity (Go SEA)

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