UCSF

ZINC43252317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 2.88 4.15 -43.13 3 2 1 31 261.842 5
Hi High (pH 8-9.5) 2.88 5.69 -31.6 3 2 1 30 261.842 5
Hi High (pH 8-9.5) 2.88 3.82 -0.89 2 2 0 29 260.834 5
Lo Low (pH 4.5-6) 2.88 5.99 -117.99 4 2 2 32 262.85 5

Activity (Go SEA)

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