UCSF

ZINC41479068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.82 8.8 -87.78 2 3 2 22 263.772 1
Mid Mid (pH 6-8) 2.82 8.37 -41.43 1 3 1 21 262.764 1
Mid Mid (pH 6-8) 2.82 6.45 -33.37 1 3 1 21 262.764 1

Activity (Go SEA)

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