UCSF

ZINC54978004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.23 2.28 -15.52 2 6 0 70 336.411 7
Lo Low (pH 4.5-6) 0.23 4.5 -41.02 3 6 1 71 337.419 7

Activity (Go SEA)

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