UCSF

ZINC39294453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) -3.40 0.15 -64.49 5 13 -1 198 482.553 7
Mid Mid (pH 6-8) -3.40 0.44 -90.39 6 13 0 200 483.561 7

Activity (Go SEA)

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