UCSF

ZINC36205168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 3.19 6.07 -10.68 0 2 0 26 233.094 4
Hi High (pH 8-9.5) 2.66 4.9 -40.7 0 2 -1 32 232.086 3

Activity (Go SEA)

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