UCSF

ZINC37075362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.54 7.87 -40.08 3 2 1 37 288.798 5
Hi High (pH 8-9.5) 4.54 6.76 -3.85 2 2 0 32 287.79 5
Hi High (pH 8-9.5) 4.54 8.63 -28.14 2 2 0 40 287.79 5

Activity (Go SEA)

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