UCSF

ZINC22879160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 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) 4.92 8 -15.43 2 6 0 65 374.529 9
Lo Low (pH 4.5-6) 4.92 10.16 -49.42 3 6 1 66 375.537 9

Activity (Go SEA)

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