UCSF

ZINC20829466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 3.63 11.57 -23.74 1 7 0 86 442.957 6
Hi High (pH 8-9.5) 3.82 10.51 -52.66 0 7 -1 92 441.949 6

Activity (Go SEA)

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