UCSF

ZINC62968924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.69 5.47 -35.28 2 5 1 46 298.451 9
Hi High (pH 8-9.5) 1.69 3.31 -3.64 1 5 0 45 297.443 9
Mid Mid (pH 6-8) 1.69 6.59 -87.06 3 5 2 51 299.459 9

Activity (Go SEA)

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

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