UCSF

ZINC32211884

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.88 3.37 -12.77 2 4 0 66 309.362 6
Hi High (pH 8-9.5) 2.88 3.43 -47.75 1 4 -1 68 308.354 6

Activity (Go SEA)

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