UCSF

ZINC28019128

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 23 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) -3.31 -2.47 -98.14 11 10 2 184 329.405 9
Hi High (pH 8-9.5) -3.31 -3.65 -52.96 10 10 1 179 328.397 9

Activity (Go SEA)

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