UCSF

ZINC41317650

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 24 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) 2.83 9.27 -38.2 2 4 1 46 346.52 9
Hi High (pH 8-9.5) 2.83 6.83 -7.9 1 4 0 45 345.512 9

Activity (Go SEA)

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