UCSF

ZINC22563944

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 21 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) 1.08 6.7 -38.42 3 3 1 34 290.475 4
Hi High (pH 8-9.5) 1.08 7.71 -35.59 3 3 1 34 290.475 4
Lo Low (pH 4.5-6) 1.08 9.08 -100.9 4 3 2 35 291.483 4

Activity (Go SEA)

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