UCSF

ZINC69238443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) 2.00 5.83 -37.87 3 4 1 49 260.361 5
Mid Mid (pH 6-8) 2.00 4.48 -5.14 2 4 0 44 259.353 5
Mid Mid (pH 6-8) 2.00 4.49 -6.73 2 4 0 44 259.353 5

Activity (Go SEA)

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

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