UCSF

ZINC12242712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 29 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) 2.05 -1.64 -52.7 3 8 1 103 416.889 9
Lo Low (pH 4.5-6) 2.05 -1.55 -117.26 4 8 2 104 417.897 9

Activity (Go SEA)

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