UCSF

ZINC26675476

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 27 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) 6.16 15.33 -36.54 1 3 1 31 368.541 12
Hi High (pH 8-9.5) 6.16 13.09 -5.78 0 3 0 30 367.533 12

Activity (Go SEA)

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