UCSF

ZINC21994032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) -0.11 1.43 -107.25 6 3 2 59 223.364 8
Hi High (pH 8-9.5) -0.11 3.37 -108.06 6 3 2 58 223.364 8
Hi High (pH 8-9.5) -0.11 3 -35.73 5 3 1 56 222.356 8

Activity (Go SEA)

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