UCSF

ZINC27517522

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 21 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) 0.37 3.51 -39.14 0 5 0 73 319.411 4
Mid Mid (pH 6-8) 1.33 4.26 -46.04 2 5 1 77 320.419 4
Mid Mid (pH 6-8) 1.33 3.45 -59.6 0 5 -1 74 318.403 4
Mid Mid (pH 6-8) 1.33 3.85 -65.22 1 5 0 75 319.411 4
Mid Mid (pH 6-8) 1.33 3.89 -23.23 1 5 0 76 319.411 4

Activity (Go SEA)

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

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