UCSF

ZINC37998158

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.56 4.55 -36.48 2 4 1 44 252.334 5
Hi High (pH 8-9.5) 1.56 3.11 -5.69 1 4 0 40 251.326 5

Activity (Go SEA)

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