UCSF

ZINC54071227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) -2.23 2.56 -65.85 3 5 0 88 202.254 4
Hi High (pH 8-9.5) -2.23 2.16 -46.32 2 5 -1 86 201.246 4

Activity (Go SEA)

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