UCSF

ZINC39358094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.68 7.88 -31.79 1 2 1 8 263.38 3
Hi High (pH 8-9.5) 2.68 5.64 -3.27 0 2 0 6 262.372 3
Mid Mid (pH 6-8) 2.68 8.05 -33.21 1 2 1 8 263.38 3
Lo Low (pH 4.5-6) 2.68 10.28 -104.1 2 2 2 9 264.388 3

Activity (Go SEA)

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