UCSF

ZINC48574129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) -0.18 6.85 -49.23 2 6 1 64 278.38 4
Hi High (pH 8-9.5) -0.18 4.63 -15.87 1 6 0 63 277.372 4

Activity (Go SEA)

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