UCSF

ZINC41367045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 24 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) 3.78 10.78 -11.96 0 3 0 33 316.404 5
Lo Low (pH 4.5-6) 3.78 11.24 -49.1 1 3 1 34 317.412 5

Activity (Go SEA)

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