UCSF

ZINC20901099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 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) 3.72 6.63 -21.45 1 4 0 59 346.839 4
Hi High (pH 8-9.5) 3.72 5.65 -41.66 0 4 -1 61 345.831 4

Activity (Go SEA)

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