UCSF

ZINC06803788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.69 13.09 -41.89 2 5 0 71 418.468 8
Hi High (pH 8-9.5) 4.69 11.73 -51.63 1 5 -1 66 417.46 8

Activity (Go SEA)

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