UCSF

ZINC22173353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) -0.78 -0.29 -66.54 2 6 -1 101 224.192 3
Hi High (pH 8-9.5) -0.78 0.61 -130.73 1 6 -2 104 223.184 3

Activity (Go SEA)

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