UCSF

ZINC43978435

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.20 7.46 -32.59 2 3 1 20 296.523 6
Hi High (pH 8-9.5) 3.20 8.29 -113.47 3 3 2 24 297.531 6
Mid Mid (pH 6-8) 3.20 9.7 -101.9 3 3 2 21 297.531 6
Lo Low (pH 4.5-6) 3.20 8.6 -81 3 3 2 24 297.531 6

Activity (Go SEA)

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