UCSF

ZINC32048550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) -0.61 3.29 -94.33 4 5 2 56 270.421 4
Hi High (pH 8-9.5) -0.61 0.82 -55.33 3 5 1 54 269.413 4
Mid Mid (pH 6-8) -0.61 3.15 -97.43 4 5 2 56 270.421 4

Activity (Go SEA)

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