UCSF

ZINC43453938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) -1.98 4.62 -35.79 1 6 0 68 257.334 6
Hi High (pH 8-9.5) -1.98 2.45 -51.02 0 6 -1 67 256.326 6
Mid Mid (pH 6-8) -1.98 4.73 -60.78 1 6 0 68 257.334 6

Activity (Go SEA)

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