UCSF

ZINC38431789

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 35 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) -1.08 8.45 -117.66 5 13 -2 216 480.485 10
Lo Low (pH 4.5-6) -1.08 9 -110.54 6 13 -1 217 481.493 10

Activity (Go SEA)

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