UCSF

ZINC13111848

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 No

Other Names:

MFCD02942265

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) 3.73 7.24 -5.61 0 2 0 22 275.417 4
Ref Reference (pH 7) 3.73 6.69 -4.48 0 2 0 22 275.417 4

Activity (Go SEA)

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

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