UCSF

ZINC21813797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.67 5.77 -46.16 2 4 1 44 304.357 11
Hi High (pH 8-9.5) 2.67 4.49 -8.09 1 4 0 40 303.349 11

Activity (Go SEA)

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