UCSF

ZINC41762456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 0.19 6.78 -32.2 2 3 0 57 225.263 5
Hi High (pH 8-9.5) 0.19 5.48 -50.92 1 3 -1 52 224.255 5

Activity (Go SEA)

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