UCSF

ZINC19256972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) 0.27 3.72 -48.91 5 4 1 74 290.431 6
Hi High (pH 8-9.5) 0.27 3.01 -8.25 4 4 0 72 289.423 6
Mid Mid (pH 6-8) 0.27 5.37 -44 5 4 1 74 290.431 6
Mid Mid (pH 6-8) 0.27 5.65 -141.4 6 4 2 75 291.439 6

Activity (Go SEA)

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