UCSF

ZINC37032941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.15 6.64 -11.25 1 4 0 45 303.793 4
Lo Low (pH 4.5-6) 2.15 6.79 -46.75 2 4 1 46 304.801 4

Activity (Go SEA)

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