UCSF

ZINC43396370

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.92 2.9 -47.7 3 4 1 63 244.318 5
Hi High (pH 8-9.5) 0.92 2.48 -9.43 2 4 0 61 243.31 5
Lo Low (pH 4.5-6) 0.92 3.24 -90.15 4 4 2 64 245.326 5

Activity (Go SEA)

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