UCSF

ZINC52942972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 15 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) -1.56 1.34 -38.33 3 5 0 86 219.281 9
Hi High (pH 8-9.5) -1.56 0.12 -52.9 2 5 -1 82 218.273 9

Activity (Go SEA)

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