UCSF

ZINC22209771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 0.78 2.5 -48.02 3 4 1 53 239.339 3
Lo Low (pH 4.5-6) 0.78 4.25 -116.95 4 4 2 54 240.347 3

Activity (Go SEA)

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