UCSF

ZINC01393556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 Yes

Other Names:

MFCD03787878

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) 3.44 -0.35 -8.7 0 2 0 25 238.315 1
Lo Low (pH 4.5-6) 3.44 -0.25 -42.88 1 2 1 27 239.323 1

Activity (Go SEA)

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

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