UCSF

ZINC39912050

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 7.99 13.3 -12.91 2 6 0 78 489.66 12
Hi High (pH 8-9.5) 7.99 14.23 -42.2 1 6 -1 81 488.652 12

Activity (Go SEA)

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