UCSF

ZINC72709769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2012 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.21 7.19 -9.53 1 3 0 42 254.333 4
Lo Low (pH 4.5-6) 3.21 7.62 -32.19 2 3 1 43 255.341 4

Activity (Go SEA)

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