UCSF

ZINC39942182

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 24 No

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) 1.75 6.53 -11.5 0 5 0 63 347.484 4
Lo Low (pH 4.5-6) 1.76 8.94 -40.69 1 5 1 64 348.492 4

Activity (Go SEA)

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