UCSF

ZINC45658471

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.89 7.89 -101.61 4 3 2 35 277.456 5
Hi High (pH 8-9.5) 1.89 6.1 -32.59 3 3 1 34 276.448 5
Hi High (pH 8-9.5) 1.89 4.68 -46.39 3 3 1 34 276.448 5
Hi High (pH 8-9.5) 1.89 6.05 -28.23 3 3 1 34 276.448 5
Mid Mid (pH 6-8) 1.89 6.56 -110.02 4 3 2 35 277.456 5
Lo Low (pH 4.5-6) 1.89 8.34 -232.79 5 3 3 37 278.464 5

Activity (Go SEA)

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