UCSF

ZINC20918990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 2.76 3.45 -15.94 2 5 0 61 313.401 3
Mid Mid (pH 6-8) 2.76 5.82 -36.77 3 5 1 63 314.409 3

Activity (Go SEA)

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