UCSF

ZINC44557595

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 19 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) 1.51 5.05 -120.97 5 4 2 61 283.441 5
Hi High (pH 8-9.5) 1.51 3.33 -45.1 4 4 1 60 282.433 5
Hi High (pH 8-9.5) 1.51 4.58 -31.55 4 4 1 60 282.433 5

Activity (Go SEA)

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