UCSF

ZINC22125465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 26 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) 4.12 10.43 -43.58 2 3 1 29 351.445 4
Hi High (pH 8-9.5) 4.12 9.1 -5.3 1 3 0 24 350.437 4

Activity (Go SEA)

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