UCSF

ZINC71186591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2011 19 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) 0.36 5.64 -52.58 2 6 -1 96 263.273 5
Mid Mid (pH 6-8) 0.36 5.46 -56.11 3 6 0 97 264.281 5
Mid Mid (pH 6-8) 0.36 6.9 -37.46 3 6 0 97 264.281 5

Activity (Go SEA)

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

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