UCSF

ZINC36302159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 2.98 5.92 -38.37 2 2 1 26 270.221 5
Hi High (pH 8-9.5) 2.98 4.69 -2.42 1 2 0 21 269.213 5

Activity (Go SEA)

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