UCSF

ZINC22931601

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) 3.71 10.51 -40.29 1 4 1 30 376.524 9
Hi High (pH 8-9.5) 3.71 7.83 -6.96 0 4 0 29 375.516 9
Mid Mid (pH 6-8) 3.71 10.38 -44.31 1 4 1 30 376.524 9
Lo Low (pH 4.5-6) 3.71 10.84 -104.11 2 4 2 31 377.532 9

Activity (Go SEA)

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