UCSF

ZINC05178550

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 29 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) 5.53 8.6 -11.29 2 5 0 67 386.451 6
Hi High (pH 8-9.5) 5.53 9.39 -47.44 1 5 -1 70 385.443 6

Activity (Go SEA)

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