UCSF

ZINC12236237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 28 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) 3.46 8.15 -49.71 3 7 1 75 403.89 5
Hi High (pH 8-9.5) 3.46 5.69 -11.23 2 7 0 74 402.882 5

Activity (Go SEA)

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