UCSF

ZINC56874854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 24 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) -5.32 -16.37 -195.43 15 11 3 218 355.412 4
Hi High (pH 8-9.5) -5.32 -17.71 -41.48 13 11 1 211 353.396 4
Mid Mid (pH 6-8) -5.32 -15.81 -87.18 14 11 2 216 354.404 4
Mid Mid (pH 6-8) -5.32 -15.26 -173.84 15 11 3 218 355.412 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.