UCSF

ZINC32117915

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) 2.39 9.1 -33.74 2 3 1 29 270.4 6
Mid Mid (pH 6-8) 2.39 6.47 -4.33 1 3 0 28 269.392 6
Mid Mid (pH 6-8) 2.39 6.9 -38.42 2 3 1 33 270.4 6
Lo Low (pH 4.5-6) 2.39 8 -90.88 3 3 2 31 271.408 6

Activity (Go SEA)

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