UCSF

ZINC62821312

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 20 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) 3.41 7.95 -33.88 3 3 1 45 274.432 4
Hi High (pH 8-9.5) 3.41 6.73 -4.69 2 3 0 41 273.424 4
Lo Low (pH 4.5-6) 3.41 8.28 -103.47 4 3 2 47 275.44 4

Activity (Go SEA)

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

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