UCSF

ZINC58195952

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 25 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) 2.82 8.35 -19.1 1 6 0 65 337.379 6
Mid Mid (pH 6-8) 2.82 8.83 -44.73 2 6 1 67 338.387 6

Activity (Go SEA)

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

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