UCSF

ZINC27617096

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 46 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) 8.81 21.28 -200.05 8 6 4 85 643.058 33
Hi High (pH 8-9.5) 8.81 19.9 -141.45 7 6 3 80 642.05 33

Activity (Go SEA)

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