UCSF

ZINC43802324

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 15 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) 0.32 0.56 -42.49 2 4 1 38 215.317 3
Hi High (pH 8-9.5) 0.32 -0.81 -3.65 1 4 0 34 214.309 3
Lo Low (pH 4.5-6) 0.32 1.45 -30.78 2 4 1 35 215.317 3
Lo Low (pH 4.5-6) 0.32 2.82 -99.76 3 4 2 40 216.325 3

Activity (Go SEA)

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