UCSF

ZINC41479115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 3.35 9.96 -82.07 2 3 2 22 291.826 2
Hi High (pH 8-9.5) 3.35 9.53 -39.5 1 3 1 21 290.818 2

Activity (Go SEA)

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