UCSF

ZINC40165710

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 19 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) 3.64 8.19 -35.14 2 2 1 20 281.851 5
Mid Mid (pH 6-8) 3.63 10.1 -111.34 3 2 2 21 282.859 5
Mid Mid (pH 6-8) 3.64 8.85 -28.85 2 2 1 16 281.851 5

Activity (Go SEA)

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