UCSF

ZINC43411778

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) 1.28 5.18 -38.66 2 4 1 42 209.317 4
Hi High (pH 8-9.5) 1.28 3.02 -7.5 1 4 0 41 208.309 4
Mid Mid (pH 6-8) 1.28 5.3 -81.4 3 4 2 43 210.325 4
Lo Low (pH 4.5-6) 1.28 5.34 -88.29 3 4 2 43 210.325 4

Activity (Go SEA)

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