UCSF

ZINC36749384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -0.49 -0.79 -26.42 4 6 1 72 240.331 3
Mid Mid (pH 6-8) -0.49 -0.91 -6.81 3 6 0 71 239.323 3
Mid Mid (pH 6-8) -0.49 1.39 -39.79 4 6 1 72 240.331 3
Lo Low (pH 4.5-6) -0.49 1.51 -80.07 5 6 2 73 241.339 3

Activity (Go SEA)

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