UCSF

ZINC90677608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2013 24 No

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) 3.35 10.02 -25.86 3 5 0 94 335.444 8
Mid Mid (pH 6-8) 3.35 9.72 -40.97 2 5 -1 92 334.436 8

Activity (Go SEA)

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

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