UCSF

ZINC09058728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 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) 2.13 1.89 -48.83 1 6 -1 106 278.247 2
Mid Mid (pH 6-8) 1.67 4.47 -12.77 2 6 0 103 279.255 2
Mid Mid (pH 6-8) 2.13 2.57 -46.78 1 6 -1 106 278.247 2

Activity (Go SEA)

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

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