UCSF

ZINC42932782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.23 7.9 -12.7 1 4 0 45 303.793 5
Lo Low (pH 4.5-6) 3.23 8.26 -36.93 2 4 1 46 304.801 5

Activity (Go SEA)

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