UCSF

ZINC31962699

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) -0.17 2.64 -94.31 5 6 2 77 279.388 5
Mid Mid (pH 6-8) -0.17 0.27 -56.21 4 6 1 76 278.38 5
Lo Low (pH 4.5-6) -0.17 2.94 -167.26 6 6 3 79 280.396 5

Activity (Go SEA)

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