UCSF

ZINC32116162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 3.56 9.8 -36.92 2 2 1 16 269.412 6
Mid Mid (pH 6-8) 3.56 7.69 -2.76 1 2 0 15 268.404 6
Mid Mid (pH 6-8) 3.56 8.4 -40.44 2 2 1 20 269.412 6
Lo Low (pH 4.5-6) 3.56 11.21 -125.34 3 2 2 21 270.42 6

Activity (Go SEA)

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