UCSF

ZINC22704626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 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) 3.40 9 -47 3 6 1 79 399.54 8
Hi High (pH 8-9.5) 3.40 5.77 -23.26 2 6 0 78 398.532 8
Hi High (pH 8-9.5) 3.86 6.8 -68.27 2 6 0 82 398.532 8

Activity (Go SEA)

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