UCSF

ZINC69490119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 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) 1.66 10.82 -32.91 1 4 1 35 235.355 4
Hi High (pH 8-9.5) 1.66 8.91 -6.32 0 4 0 34 234.347 4

Activity (Go SEA)

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