UCSF

ZINC29234159

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 25 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) 1.05 1.89 -49.55 6 7 1 118 353.487 7
Hi High (pH 8-9.5) 1.05 0.66 -18.27 5 7 0 113 352.479 7

Activity (Go SEA)

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