UCSF

ZINC27561462

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 42 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) -0.75 3.01 -55.87 10 15 1 214 576.642 10
Lo Low (pH 4.5-6) -4.81 2.17 -197.46 11 15 3 213 578.658 10

Activity (Go SEA)

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