UCSF

ZINC27144935

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 30 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) 4.63 13.36 -16.34 1 6 0 73 417.538 6
Lo Low (pH 4.5-6) 4.63 13.76 -44.32 2 6 1 74 418.546 6

Activity (Go SEA)

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