UCSF

ZINC00481064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 Yes

Other Names:

MFCD01833586

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) -0.61 0.98 -52.13 0 6 -1 95 227.203 1
Lo Low (pH 4.5-6) -0.61 1.4 -56 1 6 0 96 228.211 1

Activity (Go SEA)

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

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