UCSF

ZINC32117921

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) 2.32 8.02 -39.92 2 3 1 29 270.4 6
Mid Mid (pH 6-8) 2.32 5.9 -4.68 1 3 0 28 269.392 6
Mid Mid (pH 6-8) 2.32 7.23 -44.8 2 3 1 33 270.4 6
Lo Low (pH 4.5-6) 2.32 8.46 -88.16 3 3 2 31 271.408 6
Lo Low (pH 4.5-6) 2.32 9.37 -127.93 3 3 2 34 271.408 6

Activity (Go SEA)

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