UCSF

ZINC37322311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 1.36 5.43 -39.47 2 5 1 56 265.333 5
Lo Low (pH 4.5-6) 1.36 4.1 -48.9 2 5 1 59 265.333 5
Lo Low (pH 4.5-6) 1.36 6.6 -119.45 3 5 2 60 266.341 5

Activity (Go SEA)

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