UCSF

ZINC48546457

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) -0.61 0.44 -15.29 2 5 0 67 267.354 4
Mid Mid (pH 6-8) -0.61 2.65 -52.43 3 5 1 68 268.362 4

Activity (Go SEA)

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