UCSF

ZINC37027626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.92 -1.7 -60.13 6 6 1 109 224.24 5
Hi High (pH 8-9.5) -0.92 -2.09 -20.48 5 6 0 107 223.232 5

Activity (Go SEA)

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