UCSF

ZINC37999730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 No

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) 0.55 1.6 -54.84 5 5 1 89 202.278 6
Hi High (pH 8-9.5) 0.55 0.25 -17.31 4 5 0 84 201.27 6

Activity (Go SEA)

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