UCSF

ZINC43253931

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) 2.14 1.43 -44.66 4 3 1 51 291.868 7
Hi High (pH 8-9.5) 2.14 2.8 -33.73 4 3 1 51 291.868 7
Hi High (pH 8-9.5) 2.14 1.12 -3.55 3 3 0 49 290.86 7
Lo Low (pH 4.5-6) 2.14 3.12 -112.98 5 3 2 52 292.876 7

Activity (Go SEA)

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