UCSF

ZINC41471393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 3.81 10.92 -48.92 2 4 1 42 327.839 5
Hi High (pH 8-9.5) 3.81 8.91 -8.73 1 4 0 41 326.831 5
Lo Low (pH 4.5-6) 3.81 11.38 -92.34 3 4 2 43 328.847 5

Activity (Go SEA)

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