UCSF

ZINC69159084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 26 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) 2.84 8.98 -41.88 4 7 1 86 352.418 6
Mid Mid (pH 6-8) 2.71 9.03 -39.86 4 7 1 88 352.418 6
Mid Mid (pH 6-8) 2.71 8.53 -18.78 3 7 0 87 351.41 6

Activity (Go SEA)

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