UCSF

ZINC32022861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -1.47 1.93 -61.38 2 6 0 77 257.334 5
Hi High (pH 8-9.5) -1.47 4.24 -107.58 3 6 1 78 258.342 5
Mid Mid (pH 6-8) -1.47 1.83 -57.2 2 6 0 77 257.334 5

Activity (Go SEA)

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