UCSF

ZINC03847237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 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) 1.59 2.67 -7.75 1 3 0 42 189.214 1
Lo Low (pH 4.5-6) 1.59 2.92 -32.71 2 3 1 44 190.222 1

Activity (Go SEA)

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