UCSF

ZINC66348265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 20 Yes

Other Names:

MFCD00145217

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) 3.03 6.88 -37.33 3 2 1 37 268.38 4
Hi High (pH 8-9.5) 9.83 22.27 -6.57 0 3 0 36 526.742 15

Activity (Go SEA)

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

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