UCSF

ZINC41368728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 22 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) 3.33 10.61 -7.76 0 3 0 33 296.414 5
Lo Low (pH 4.5-6) 3.33 11.06 -30.44 1 3 1 34 297.422 5

Activity (Go SEA)

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