UCSF

ZINC00646947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 No

Other Names:

MFCD03341342

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) 2.79 -2.97 -11.41 3 6 0 100 365.396 2
Lo Low (pH 4.5-6) 2.79 -3.52 -37.87 4 6 1 101 366.404 2
Lo Low (pH 4.5-6) 2.79 5.26 -53.88 4 6 1 102 366.404 2

Activity (Go SEA)

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

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