UCSF

ZINC22220451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 1.68 3.05 -42.4 3 2 1 31 213.37 4
Hi High (pH 8-9.5) 1.68 2.35 -2.3 2 2 0 29 212.362 4
Mid Mid (pH 6-8) 1.68 4.54 -27.65 3 2 1 30 213.37 4

Activity (Go SEA)

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