UCSF

ZINC23055326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 22 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) 2.51 6.48 -21.13 1 5 0 60 318.398 5
Hi High (pH 8-9.5) 2.58 5.56 -52.33 0 5 -1 67 317.39 5

Activity (Go SEA)

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