UCSF

ZINC17016549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 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) 5.75 11.57 -16.43 1 4 0 55 424.378 7
Hi High (pH 8-9.5) 5.94 10.51 -41.79 0 4 -1 61 423.37 7

Activity (Go SEA)

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