UCSF

ZINC31959902

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.63 5.81 -56.27 4 4 1 70 290.412 4
Hi High (pH 8-9.5) 3.19 4.66 -10.28 3 4 0 71 289.404 3
Mid Mid (pH 6-8) 2.45 4.74 -45.46 3 4 0 76 289.404 4

Activity (Go SEA)

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