UCSF

ZINC39763831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 19 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) 1.17 3.51 -12.16 2 6 0 80 278.337 6
Hi High (pH 8-9.5) 1.17 3.32 -47.15 1 6 -1 78 277.329 6

Activity (Go SEA)

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