UCSF

ZINC43615973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 2.95 6.3 -19.16 1 6 0 74 358.438 4
Mid Mid (pH 6-8) 2.95 8.5 -68.87 2 6 1 75 359.446 4

Activity (Go SEA)

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