UCSF

ZINC53335120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 28 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) 1.87 4.91 -19.6 2 7 0 88 385.464 5
Lo Low (pH 4.5-6) 1.87 7.37 -52.01 3 7 1 89 386.472 5

Activity (Go SEA)

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