UCSF

ZINC42308323

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) -0.97 6.46 -31.46 1 4 0 58 197.234 4
Hi High (pH 8-9.5) -0.97 4.31 -46.38 0 4 -1 57 196.226 4

Activity (Go SEA)

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