UCSF

ZINC22276172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 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) 3.88 11.33 -69.18 1 6 0 74 440.515 9
Hi High (pH 8-9.5) 3.88 8.78 -56.25 0 6 -1 73 439.507 9

Activity (Go SEA)

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