UCSF

ZINC47385379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 23 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) 3.22 9.66 -14.19 1 5 0 60 347.205 3
Lo Low (pH 4.5-6) 3.22 10.12 -34.72 2 5 1 61 348.213 3

Activity (Go SEA)

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