UCSF

ZINC39965510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 32 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) 3.27 9.52 -19.09 1 10 0 117 475.552 10
Hi High (pH 8-9.5) 3.46 8.32 -50.85 0 10 -1 124 474.544 10

Activity (Go SEA)

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