UCSF

ZINC20175868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 No

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) 5.45 9.6 -28.48 2 8 0 106 434.448 9
Hi High (pH 8-9.5) 5.45 10.62 -70.69 1 8 -1 109 433.44 9

Activity (Go SEA)

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