UCSF

ZINC51881505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 15 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) 1.73 7.77 -33.71 1 3 1 31 212.313 7
Hi High (pH 8-9.5) 1.73 5.64 -4.04 0 3 0 30 211.305 7

Activity (Go SEA)

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