UCSF

ZINC42879506

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 1.45 0.54 -50.96 3 6 1 68 295.359 6
Hi High (pH 8-9.5) 1.45 1.19 -37.18 2 6 0 71 294.351 6
Lo Low (pH 4.5-6) 1.45 2.81 -119.42 4 6 2 69 296.367 6

Activity (Go SEA)

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