UCSF

ZINC19781730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 23 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) 3.25 8.71 -43.71 1 3 1 17 315.412 5
Mid Mid (pH 6-8) 3.25 8.77 -43.1 1 3 1 17 315.412 5
Mid Mid (pH 6-8) 3.25 6.39 -5.14 0 3 0 16 314.404 5

Activity (Go SEA)

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