UCSF

ZINC23001935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 Yes

Other Names:

MFCD00955235

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) 2.21 6.78 -51.13 0 6 -1 77 376.742 4
Lo Low (pH 4.5-6) 2.21 5.65 -12.28 1 6 0 74 377.75 4

Activity (Go SEA)

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

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