UCSF

ZINC39228638

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 2.21 12.29 -44.51 3 7 1 84 432.548 6
Mid Mid (pH 6-8) 2.21 11.78 -19.2 2 7 0 83 431.54 6

Activity (Go SEA)

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