UCSF

ZINC57307714

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 17 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) 1.91 6.58 -40.56 2 4 1 46 254.379 6
Hi High (pH 8-9.5) 1.91 4.51 -8.33 1 4 0 45 253.371 6

Activity (Go SEA)

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