UCSF

ZINC03049872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2005 26 No

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) 2.96 10.87 -102.8 3 5 2 43 394.972 9
Hi High (pH 8-9.5) 2.96 7.87 -10.75 1 5 0 41 392.956 9

Activity (Go SEA)

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