UCSF

ZINC36731951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.77 5.15 -42.67 3 3 1 44 258.389 7
Mid Mid (pH 6-8) 1.77 5.19 -85.14 4 3 2 45 259.397 7
Mid Mid (pH 6-8) 1.77 6.92 -34.89 3 3 1 43 258.389 7

Activity (Go SEA)

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