UCSF

ZINC08871797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.91 8.17 -56.07 2 7 1 84 442.923 7
Mid Mid (pH 6-8) 1.33 8.87 -65.38 1 7 1 81 442.923 7
Lo Low (pH 4.5-6) 1.33 9.15 -122.8 2 7 2 82 443.931 7
Lo Low (pH 4.5-6) 2.36 8.1 -123.31 3 7 2 85 443.931 6

Activity (Go SEA)

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