UCSF

ZINC48544544

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) 2.47 5.66 -50.27 3 5 1 63 284.424 7
Hi High (pH 8-9.5) 2.47 3.38 -15.24 2 5 0 61 283.416 7

Activity (Go SEA)

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