UCSF

ZINC31946286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 0.90 5.68 -55.43 2 5 1 54 259.333 1
Mid Mid (pH 6-8) 0.90 4.3 -12.3 1 5 0 50 258.325 1
Lo Low (pH 4.5-6) 0.90 6.1 -92.91 3 5 2 55 260.341 1

Activity (Go SEA)

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