UCSF

ZINC32268088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 25 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) 2.89 6.42 -13.58 1 5 0 55 344.455 6
Mid Mid (pH 6-8) 2.89 8.41 -49.51 2 5 1 56 345.463 6

Activity (Go SEA)

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