UCSF

ZINC36191219

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.67 5.91 -117.14 4 3 2 35 297.531 4
Mid Mid (pH 6-8) 2.67 8.52 -200.44 5 3 3 37 298.539 4
Lo Low (pH 4.5-6) 2.67 6.88 -92.45 4 3 2 35 297.531 4

Activity (Go SEA)

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