UCSF

ZINC35815836

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 28 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) 3.77 9.96 -14.19 1 6 0 66 384.524 4
Mid Mid (pH 6-8) 3.77 10.27 -44.58 2 6 1 67 385.532 4

Activity (Go SEA)

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