UCSF

ZINC39975119

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 20 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) 3.78 6.66 -10.34 1 3 0 46 327.858 5
Hi High (pH 8-9.5) 3.78 6.72 -47.62 0 3 -1 48 326.85 5

Activity (Go SEA)

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