UCSF

ZINC21812699

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 4.73 8.64 -33.55 2 1 1 17 226.409 7
Hi High (pH 8-9.5) 4.73 7.45 -1.89 1 1 0 12 225.401 7

Activity (Go SEA)

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