UCSF

ZINC37802031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.37 -1.32 -40.64 5 6 1 94 297.404 5
Hi High (pH 8-9.5) -0.37 -1.68 -11.92 4 6 0 93 296.396 5
Mid Mid (pH 6-8) -0.37 0.9 -104.04 6 6 2 95 298.412 5

Activity (Go SEA)

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