UCSF

ZINC40950922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 32 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) 6.28 8.6 -40.47 1 6 -1 94 512.46 6
Hi High (pH 8-9.5) 6.28 8.75 -110.28 0 6 -2 96 511.452 6
Mid Mid (pH 6-8) 6.28 8.43 -13.16 2 6 0 92 513.468 6

Activity (Go SEA)

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