UCSF

ZINC63494958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2011 26 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) 4.69 13.03 -19.19 3 5 0 68 359.458 2
Mid Mid (pH 6-8) 4.69 13.53 -38.25 4 5 1 70 360.466 2

Activity (Go SEA)

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