UCSF

ZINC31975539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.22 7.82 -51.13 3 3 1 45 252.341 2
Hi High (pH 8-9.5) 3.22 7.43 -11.33 2 3 0 43 251.333 2
Mid Mid (pH 6-8) 3.22 8.17 -99.59 4 3 2 46 253.349 2

Activity (Go SEA)

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