UCSF

ZINC39965478

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 3.88 8.73 -20.86 1 10 0 113 482.547 7
Hi High (pH 8-9.5) 4.06 7.29 -51.97 0 10 -1 120 481.539 7

Activity (Go SEA)

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