UCSF

ZINC62322121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 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) 0.88 3.75 -38.15 3 5 1 55 244.359 9
Hi High (pH 8-9.5) 0.88 1.54 -8.73 2 5 0 54 243.351 9

Activity (Go SEA)

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