UCSF

ZINC66820700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2011 18 No

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) 1.58 6.64 -7.92 0 4 0 36 285.438 4
Lo Low (pH 4.5-6) 1.58 7.09 -34.24 1 4 1 38 286.446 4

Activity (Go SEA)

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