UCSF

ZINC43967178

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) 2.26 6.7 -35.96 2 4 1 34 287.431 6
Hi High (pH 8-9.5) 2.26 4.14 -6.61 1 4 0 33 286.423 6
Mid Mid (pH 6-8) 2.26 9.02 -119.62 3 4 2 39 288.439 6

Activity (Go SEA)

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