UCSF

ZINC37111755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.18 7.47 -34.94 2 3 1 26 249.378 5
Hi High (pH 8-9.5) 3.18 5.45 -4.01 1 3 0 24 248.37 5

Activity (Go SEA)

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