UCSF

ZINC29461890

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 24 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) 4.57 11.85 -40.11 1 4 1 40 352.882 7
Hi High (pH 8-9.5) 4.57 9.58 -6.46 0 4 0 39 351.874 7

Activity (Go SEA)

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