UCSF

ZINC67130241

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 0.88 3.46 -36.22 2 4 1 37 224.328 5
Hi High (pH 8-9.5) 0.88 1.18 -7.32 1 4 0 36 223.32 5

Activity (Go SEA)

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