UCSF

ZINC34705300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 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) 3.79 11.15 -27.89 1 6 0 75 426.929 4
Hi High (pH 8-9.5) 3.97 8.41 -63.47 0 6 -1 82 425.921 4

Activity (Go SEA)

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