UCSF

ZINC43259863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 0.47 3.16 -48.04 3 4 1 51 321.264 5
Hi High (pH 8-9.5) 0.47 2.28 -9.33 2 4 0 50 320.256 5
Lo Low (pH 4.5-6) 0.47 4.44 -133.42 4 4 2 52 322.272 5

Activity (Go SEA)

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