UCSF

ZINC21793801

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 2.78 8.9 -12.19 0 7 0 62 423.561 4
Lo Low (pH 4.5-6) 2.78 9.17 -38.09 1 7 1 63 424.569 4

Activity (Go SEA)

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