UCSF

ZINC47081127

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2010 20 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) 3.39 8.27 -34.29 1 3 1 17 277.432 6
Hi High (pH 8-9.5) 3.39 5.99 -4.12 0 3 0 16 276.424 6
Mid Mid (pH 6-8) 3.39 8.26 -37.35 1 3 1 17 277.432 6

Activity (Go SEA)

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