UCSF

ZINC47631071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 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) 2.16 6.57 -38.58 2 5 1 60 291.371 7
Hi High (pH 8-9.5) 2.16 4.73 -11.8 1 5 0 59 290.363 7

Activity (Go SEA)

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