UCSF

ZINC39229508

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.78 9.53 -13.13 1 5 0 58 344.418 4
Lo Low (pH 4.5-6) 2.78 10.05 -36.34 2 5 1 59 345.426 4
Lo Low (pH 4.5-6) 2.78 10.49 -94.47 3 5 2 61 346.434 4
Lo Low (pH 4.5-6) 2.78 9.96 -43.13 2 5 1 59 345.426 4

Activity (Go SEA)

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