UCSF

ZINC19836562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 3.23 9 -43.43 2 4 1 37 376.54 6
Lo Low (pH 4.5-6) 3.23 9.01 -40.59 2 4 1 37 376.54 6

Activity (Go SEA)

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