UCSF

ZINC42591479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) -0.30 2.07 -41.38 2 5 1 46 230.332 6
Hi High (pH 8-9.5) -0.30 -0.21 -11.11 1 5 0 45 229.324 6
Mid Mid (pH 6-8) -0.30 2.06 -44.72 2 5 1 46 230.332 6

Activity (Go SEA)

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