UCSF

ZINC21805340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 4.87 6.99 -38.8 3 2 1 37 236.379 7
Hi High (pH 8-9.5) 4.87 7.78 -46.5 2 2 0 40 235.371 7

Activity (Go SEA)

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