UCSF

ZINC20352845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 1.51 3.49 -12.19 2 5 0 59 261.325 5
Lo Low (pH 4.5-6) 1.51 3.62 -35.6 3 5 1 61 262.333 5

Activity (Go SEA)

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