UCSF

ZINC05286115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 Yes

Other Names:

MFCD00847076

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) 3.33 10.24 -18.62 0 6 0 61 354.464 4
Mid Mid (pH 6-8) 3.33 10.59 -32.99 1 6 1 63 355.472 4
Mid Mid (pH 6-8) 3.33 10.96 -67.25 2 6 2 64 356.48 4

Activity (Go SEA)

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

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