UCSF

ZINC12613352

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 26 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) 2.68 6.87 -47.12 2 7 1 68 357.434 5
Mid Mid (pH 6-8) 2.68 4.69 -42.57 2 7 1 68 357.434 5
Mid Mid (pH 6-8) 2.68 4.4 -15.14 1 7 0 67 356.426 5

Activity (Go SEA)

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