UCSF

ZINC42879836

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) 1.51 -0.07 -6.15 2 6 0 63 294.351 5
Hi High (pH 8-9.5) 1.51 1.71 -34.69 2 6 0 71 294.351 5
Mid Mid (pH 6-8) 1.51 1.06 -45.31 3 6 1 68 295.359 5
Lo Low (pH 4.5-6) 1.51 1.63 -43.73 3 6 1 64 295.359 5
Lo Low (pH 4.5-6) 1.51 2.86 -130.05 4 6 2 69 296.367 5

Activity (Go SEA)

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