UCSF

ZINC26441718

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 11 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) 1.69 5.15 -49.96 0 2 -1 40 153.201 1
Lo Low (pH 4.5-6) 1.69 4.03 -6.26 1 2 0 37 154.209 1

Activity (Go SEA)

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