UCSF

ZINC19633944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 3.07 8.73 -34.8 1 2 1 8 235.395 8
Mid Mid (pH 6-8) 3.07 8.41 -35.19 1 2 1 8 235.395 8
Mid Mid (pH 6-8) 3.07 10.66 -106.65 2 2 2 9 236.403 8

Activity (Go SEA)

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