UCSF

ZINC22107132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 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) 4.69 12.24 -30.53 2 3 1 26 373.52 6
Lo Low (pH 4.5-6) 4.69 12.2 -40.49 2 3 1 29 373.52 6

Activity (Go SEA)

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