UCSF

ZINC34399939

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 20 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) 2.08 5.6 -41.64 2 4 1 43 278.372 4
Hi High (pH 8-9.5) 2.08 3.42 -7.79 1 4 0 42 277.364 4

Activity (Go SEA)

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