UCSF

ZINC39554723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 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) 2.06 7.28 -22.63 1 8 0 83 426.565 6
Mid Mid (pH 6-8) 2.06 9.42 -55.78 2 8 1 85 427.573 6

Activity (Go SEA)

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