UCSF

ZINC39763190

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 0.78 4.86 -25.68 3 11 0 144 477.572 9
Hi High (pH 8-9.5) 0.97 3.31 -54.71 2 11 -1 150 476.564 9

Activity (Go SEA)

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