UCSF

ZINC62319343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 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) 1.18 6.61 -44.38 2 6 1 57 297.423 6
Hi High (pH 8-9.5) 1.18 4.49 -10.91 1 6 0 56 296.415 6

Activity (Go SEA)

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