UCSF

ZINC39037602

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 26 Yes

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) 6.44 11.25 -5.23 0 2 0 25 403.323 3
Lo Low (pH 4.5-6) 6.44 11.22 -27.85 1 2 1 26 404.331 3
Lo Low (pH 4.5-6) 6.44 12.11 -29.28 1 2 1 26 404.331 3

Activity (Go SEA)

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