UCSF

ZINC21806929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 4.83 6.6 -37.86 3 2 1 37 248.39 3
Hi High (pH 8-9.5) 4.83 7.39 -46.3 2 2 0 40 247.382 3

Activity (Go SEA)

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