UCSF

ZINC37777913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 4.60 5.8 -5.75 2 3 0 41 291.778 5
Hi High (pH 8-9.5) 4.60 6.56 -41.42 1 3 -1 44 290.77 5

Activity (Go SEA)

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