UCSF

ZINC41304643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 25 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) 2.44 8.54 -22.02 1 7 0 90 377.495 5
Hi High (pH 8-9.5) 2.51 6.83 -59.65 0 7 -1 96 376.487 5

Activity (Go SEA)

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