UCSF

ZINC22931599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 3.59 10.97 -44.89 1 4 1 30 376.524 10
Hi High (pH 8-9.5) 3.58 8.78 -6.91 0 4 0 29 375.516 10
Mid Mid (pH 6-8) 3.59 11.24 -44.91 1 4 1 30 376.524 10
Lo Low (pH 4.5-6) 3.59 11.71 -90.34 2 4 2 31 377.532 10

Activity (Go SEA)

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