UCSF

ZINC22585537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 29 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) 2.52 6.91 -38.99 3 6 1 66 395.527 8
Hi High (pH 8-9.5) 2.52 4.71 -13.02 2 6 0 65 394.519 8

Activity (Go SEA)

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