UCSF

ZINC31973548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 4.27 8.46 -43.43 3 3 1 45 346.888 3
Hi High (pH 8-9.5) 4.27 8.23 -8.63 2 3 0 43 345.88 3

Activity (Go SEA)

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