UCSF

ZINC20421146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.77 2.43 -58.63 1 5 -1 76 315.374 3
Hi High (pH 8-9.5) 2.34 3.47 -109.86 0 5 -2 79 314.366 2
Hi High (pH 8-9.5) 1.77 3.2 -116.17 0 5 -2 79 314.366 3
Mid Mid (pH 6-8) 2.34 3.36 -54.74 1 5 -1 76 315.374 2
Mid Mid (pH 6-8) 1.88 3.93 -14.91 2 5 0 73 316.382 2

Activity (Go SEA)

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

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