UCSF

ZINC40848689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 34 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) 3.80 11.18 -47.47 4 5 1 73 466.552 6
Hi High (pH 8-9.5) 3.80 9.44 -12.41 3 5 0 71 465.544 6

Activity (Go SEA)

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