UCSF

ZINC06308928

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 27 No

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) 1.46 7.18 -41.41 0 6 -1 83 369.372 7
Mid Mid (pH 6-8) 0.88 6.68 -17.02 0 6 0 77 370.38 7
Mid Mid (pH 6-8) 1.91 5.66 -26.39 1 6 0 80 370.38 6

Activity (Go SEA)

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