UCSF

ZINC05342722

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 29 Yes

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) 3.53 5.15 -14.09 3 6 0 89 415.852 5
Ref Reference (pH 7) 3.53 5.45 -14.59 3 6 0 89 415.852 5
Hi High (pH 8-9.5) 3.51 5.09 -49.36 1 6 -1 88 414.844 5
Hi High (pH 8-9.5) 3.51 5 -51.2 1 6 -1 88 414.844 5
Hi High (pH 8-9.5) 3.53 5.87 -48.8 2 6 -1 92 414.844 5
Mid Mid (pH 6-8) 3.53 6.22 -51.66 2 6 -1 92 414.844 5

Activity (Go SEA)

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