UCSF

ZINC13683941

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 No

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) 3.30 6.13 -13.73 3 3 0 46 332.441 5
Ref Reference (pH 7) 2.63 5.65 -16.19 3 3 0 44 332.441 6
Hi High (pH 8-9.5) 3.30 5.61 -43.85 2 3 -1 45 331.433 5

Activity (Go SEA)

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

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