UCSF

ZINC20051287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.67 6.85 -43.31 1 4 1 26 259.377 3
Mid Mid (pH 6-8) 1.67 7.61 -82.02 2 4 2 27 260.385 3
Mid Mid (pH 6-8) 1.67 4.48 -8.69 0 4 0 24 258.369 3
Mid Mid (pH 6-8) 1.67 6.72 -38.89 1 4 1 26 259.377 3

Activity (Go SEA)

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