UCSF

ZINC04015346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 14 Yes

Other Names:

MFCD00848896

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) 3.41 0.17 -6.25 0 1 0 12 183.254 0
Lo Low (pH 4.5-6) 3.41 0.26 -27.13 1 1 1 14 184.262 0

Activity (Go SEA)

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

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