UCSF

ZINC26576196

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 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) 4.36 9.63 -8.53 0 3 0 33 340.854 4
Lo Low (pH 4.5-6) 4.36 10.45 -32.03 1 3 1 34 341.862 4

Activity (Go SEA)

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