UCSF

ZINC43477248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 3.38 6.36 -48.35 3 3 1 40 291.802 5
Hi High (pH 8-9.5) 3.38 7.12 -62.36 2 3 0 43 290.794 5
Hi High (pH 8-9.5) 3.38 5.01 -6.17 2 3 0 35 290.794 5

Activity (Go SEA)

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