UCSF

ZINC42781881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.88 7.82 -101.06 4 3 2 35 279.472 9
Hi High (pH 8-9.5) 0.88 8.94 -107.33 4 3 2 35 279.472 9
Hi High (pH 8-9.5) 0.88 5.36 -45.95 3 3 1 34 278.464 9
Hi High (pH 8-9.5) 0.88 6.47 -32.93 3 3 1 34 278.464 9
Mid Mid (pH 6-8) 0.88 6.93 -120.39 4 3 2 35 279.472 9

Activity (Go SEA)

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