UCSF

ZINC21816608

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 16 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) 1.77 6.04 -36.98 2 3 1 29 234.245 5
Hi High (pH 8-9.5) 1.77 3.51 -4.46 1 3 0 28 233.237 5

Activity (Go SEA)

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