UCSF

ZINC41090141

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.90 13.27 -39.3 1 4 1 33 401.987 5
Mid Mid (pH 6-8) 4.90 11.04 -6.6 0 4 0 32 400.979 5

Activity (Go SEA)

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