UCSF

ZINC19885237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.26 3.78 -40.79 2 4 1 46 215.317 6
Hi High (pH 8-9.5) 1.26 4.87 -38.56 2 4 1 43 215.317 6
Mid Mid (pH 6-8) 1.26 2.51 -4.99 1 4 0 42 214.309 6
Lo Low (pH 4.5-6) 1.26 6.13 -106.72 3 4 2 47 216.325 6

Activity (Go SEA)

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