UCSF

ZINC69770676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 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) 1.15 1.31 -58.62 0 7 -1 91 343.359 6
Mid Mid (pH 6-8) 0.97 3.87 -16.57 1 7 0 85 344.367 6
Mid Mid (pH 6-8) 0.97 3.78 -15.45 1 7 0 85 344.367 6

Activity (Go SEA)

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

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