UCSF

ZINC35661323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 13 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) -0.32 -0.67 -41.37 4 5 1 75 186.235 5
Hi High (pH 8-9.5) -0.32 -2.11 -8.56 3 5 0 70 185.227 5

Activity (Go SEA)

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