UCSF

ZINC20253221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 0.81 4.03 -35.68 2 3 1 29 226.369 5
Hi High (pH 8-9.5) 0.81 1.51 -5.7 1 3 0 28 225.361 5
Mid Mid (pH 6-8) 0.81 2.91 -38.77 2 3 1 33 226.369 5
Mid Mid (pH 6-8) 0.81 5.45 -112.68 3 3 2 34 227.377 5

Activity (Go SEA)

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