UCSF

ZINC19777583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 2.88 8.63 -82.78 3 4 2 40 314.857 7
Hi High (pH 8-9.5) 2.88 6.32 -47.02 2 4 1 38 313.849 7

Activity (Go SEA)

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