UCSF

ZINC62948719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 1.56 2.08 -38.27 2 3 1 29 213.345 2
Hi High (pH 8-9.5) 1.56 0.82 -1.79 1 3 0 24 212.337 2
Lo Low (pH 4.5-6) 1.56 2.91 -30.45 2 3 1 26 213.345 2
Lo Low (pH 4.5-6) 1.56 4.16 -104.25 3 3 2 30 214.353 2

Activity (Go SEA)

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

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