UCSF

ZINC43401054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) -0.09 3.65 -33.63 4 4 1 68 193.274 3
Mid Mid (pH 6-8) -0.09 4.62 -6.74 3 4 0 66 192.266 3
Lo Low (pH 4.5-6) -0.09 4.11 -85.68 5 4 2 69 194.282 3

Activity (Go SEA)

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