UCSF

ZINC37759582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.31 3.33 -67.83 2 6 0 77 255.318 5
Mid Mid (pH 6-8) -0.31 3.22 -60.59 2 6 0 77 255.318 5
Mid Mid (pH 6-8) -0.31 0.96 -52.77 1 6 -1 76 254.31 5
Lo Low (pH 4.5-6) -0.31 1.38 -45.57 3 6 1 74 256.326 5

Activity (Go SEA)

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