UCSF

ZINC40143368

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 6.55 15.99 -52.37 2 4 1 46 448.656 7
Hi High (pH 8-9.5) 6.62 14.56 -70.76 1 4 0 53 447.648 7

Activity (Go SEA)

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