UCSF

ZINC36215673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 No

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) 5.88 8.89 -52.6 4 5 1 70 459.61 6
Hi High (pH 8-9.5) 5.88 6.7 -9.92 3 5 0 69 458.602 6

Activity (Go SEA)

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