UCSF

ZINC66379079

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 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) 0.82 3.96 -47.46 2 5 1 56 244.34 7
Hi High (pH 8-9.5) 0.82 1.7 -15.36 1 5 0 54 243.332 7

Activity (Go SEA)

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