UCSF

ZINC37997910

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 1.69 4.16 -41.97 2 4 1 44 274.287 6
Hi High (pH 8-9.5) 1.69 2.72 -7.51 1 4 0 40 273.279 6

Activity (Go SEA)

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