UCSF

ZINC39882520

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.44 13.77 -12.1 0 4 0 37 444.962 5
Lo Low (pH 4.5-6) 5.44 15.35 -48.41 1 4 1 38 445.97 5

Activity (Go SEA)

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