UCSF

ZINC69893990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 Yes

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) 1.15 2.65 -37.5 2 3 1 29 213.345 2
Hi High (pH 8-9.5) 1.15 1.41 -1.99 1 3 0 24 212.337 2
Lo Low (pH 4.5-6) 1.15 4.87 -113.76 3 3 2 30 214.353 2
Lo Low (pH 4.5-6) 1.15 3.61 -31.17 2 3 1 26 213.345 2

Activity (Go SEA)

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

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