UCSF

ZINC38362687

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2010 38 No

Other Names:

Mahureone D

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) 8.52 18.25 -107.58 0 6 -2 107 526.714 12
Mid Mid (pH 6-8) 8.10 18.52 -20.13 0 6 0 101 527.722 12

Activity (Go SEA)

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

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