UCSF

ZINC07457318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 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) 4.04 10.75 -42.49 2 4 1 43 351.47 7
Mid Mid (pH 6-8) 4.04 8.54 -10.36 1 4 0 42 350.462 7

Activity (Go SEA)

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