UCSF

ZINC39560162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.16 5.9 -49.88 2 4 -1 81 331.432 2
Lo Low (pH 4.5-6) 3.16 3.85 -9.65 3 4 0 78 332.44 2

Activity (Go SEA)

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