UCSF

ZINC19897770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 No

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) 2.57 9.1 -73.7 1 7 0 83 442.899 6
Hi High (pH 8-9.5) 2.57 6.56 -62.23 0 7 -1 82 441.891 6

Activity (Go SEA)

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