UCSF

ZINC37085368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.39 6.01 -10.75 1 5 0 56 275.352 5
Mid Mid (pH 6-8) 2.39 6.89 -40.92 2 5 1 61 276.36 5
Mid Mid (pH 6-8) 2.39 6.68 -27.45 2 5 1 57 276.36 5
Lo Low (pH 4.5-6) 2.39 7.68 -100.07 3 5 2 62 277.368 5

Activity (Go SEA)

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