UCSF

ZINC13678474

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 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) 3.67 4.91 -11.85 1 2 0 37 212.314 4
Mid Mid (pH 6-8) 2.86 5.58 -4.95 0 2 0 34 212.314 4
Mid Mid (pH 6-8) 2.38 5.57 -35.46 0 2 -1 40 211.306 4

Activity (Go SEA)

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

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