UCSF

ZINC39761040

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 36 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) 4.36 12.7 -21.14 2 8 0 98 501.612 9

Activity (Go SEA)

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