UCSF

ZINC36680098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 24 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) 3.66 4.39 -13.83 1 6 0 77 323.352 5
Hi High (pH 8-9.5) 3.72 3.54 -53.35 0 6 -1 84 322.344 5

Activity (Go SEA)

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