UCSF

ZINC39257474

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 Yes

Other Names:

MFCD15732355

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) 1.84 4.15 -10.38 1 3 0 37 190.227 0
Lo Low (pH 4.5-6) -2.08 3.76 -31.73 1 3 1 37 191.235 0

Activity (Go SEA)

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

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