UCSF

ZINC37052502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -0.80 4.41 -11.6 2 5 0 67 338.205 2
Mid Mid (pH 6-8) -0.80 4.71 -49.75 3 5 1 68 339.213 2

Activity (Go SEA)

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