UCSF

ZINC69578691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 24 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) 3.59 7.45 -9.95 1 5 0 72 334.253 3
Mid Mid (pH 6-8) 3.59 6.92 -15.24 1 5 0 72 334.253 3
Mid Mid (pH 6-8) 4.05 5.63 -36.83 0 5 -1 75 333.245 3

Activity (Go SEA)

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

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