UCSF

ZINC35625320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 3.09 5.73 -3.47 1 3 0 24 331.287 7
Mid Mid (pH 6-8) 3.09 8.01 -38.98 2 3 1 26 332.295 7
Lo Low (pH 4.5-6) 3.09 9.02 -114.56 3 3 2 30 333.303 7

Activity (Go SEA)

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

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