UCSF

ZINC22011064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 No

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) 1.33 4.1 -8.44 1 3 0 46 201.225 1
Hi High (pH 8-9.5) 1.51 2.36 -41.63 0 3 -1 52 200.217 1

Activity (Go SEA)

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