UCSF

ZINC67884971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 21 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) 1.17 5.07 -47.72 2 5 1 63 312.459 7
Lo Low (pH 4.5-6) 1.17 5.52 -92.38 3 5 2 65 313.467 7

Activity (Go SEA)

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