UCSF

ZINC38762051

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 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) 2.05 -0.76 -12.38 3 6 0 88 204.226 4
Hi High (pH 8-9.5) 2.05 0.45 -49.17 2 6 -1 90 203.218 4

Activity (Go SEA)

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