UCSF

ZINC60261257

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 Yes

Other Names:

MFCD00009497

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) 8.80 17.78 -103.61 0 4 -2 80 424.666 21
Lo Low (pH 4.5-6) 8.80 15.9 -48.48 1 4 -1 77 425.674 21
Lo Low (pH 4.5-6) 8.80 15.76 -53.06 1 4 -1 77 425.674 21

Activity (Go SEA)

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

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