UCSF

ZINC41536890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.70 8.58 -44.51 1 5 -1 78 326.372 5
Lo Low (pH 4.5-6) 2.70 6.5 -12.75 2 5 0 76 327.38 5

Activity (Go SEA)

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