UCSF

ZINC19889055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.56 4.35 -4.49 0 4 0 29 289.423 3
Lo Low (pH 4.5-6) 1.56 6.47 -34.92 1 4 1 30 290.431 3
Lo Low (pH 4.5-6) 1.56 6.49 -80.48 2 4 2 31 291.439 3

Activity (Go SEA)

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