UCSF

ZINC34679253

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 19 No

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) 1.10 3.74 -41.86 4 5 1 66 263.365 4
Mid Mid (pH 6-8) 1.10 1.36 -6.54 3 5 0 65 262.357 4
Lo Low (pH 4.5-6) 1.10 5.67 -122.55 5 5 2 67 264.373 4

Activity (Go SEA)

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