UCSF

ZINC22682121

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 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) 4.54 11.21 -51.61 3 6 1 80 466.627 9
Hi High (pH 8-9.5) 4.54 9.22 -43.95 1 6 -1 81 464.611 9
Hi High (pH 8-9.5) 4.54 11.28 -65.87 2 6 0 82 465.619 9
Hi High (pH 8-9.5) 4.54 9.15 -15.07 2 6 0 79 465.619 9

Activity (Go SEA)

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