UCSF

ZINC06530744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 34 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) 2.03 -1.22 -58.96 2 8 1 93 466.558 9
Mid Mid (pH 6-8) 1.45 -1.38 -68.38 1 8 1 90 466.558 9
Lo Low (pH 4.5-6) 2.48 -1.5 -123.67 3 8 2 94 467.566 8

Activity (Go SEA)

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