UCSF

ZINC43243052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.74 5.45 -43.6 3 2 1 31 267.462 6
Hi High (pH 8-9.5) 2.74 7.73 -25.54 3 2 1 30 267.462 6
Hi High (pH 8-9.5) 2.74 6.24 -2.24 2 2 0 29 266.454 6
Lo Low (pH 4.5-6) 2.74 7.66 -99.65 4 2 2 32 268.47 6

Activity (Go SEA)

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