UCSF

ZINC31962067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.38 3.07 -87.4 5 7 2 90 328.42 4
Hi High (pH 8-9.5) 0.38 2.46 -16.32 3 7 0 87 326.404 4
Mid Mid (pH 6-8) 0.38 2.74 -42.33 4 7 1 89 327.412 4
Mid Mid (pH 6-8) 0.38 2.79 -53.24 4 7 1 89 327.412 4

Activity (Go SEA)

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