UCSF

ZINC37799323

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.72 4.49 -38.14 3 5 1 66 282.408 5
Hi High (pH 8-9.5) 2.72 3.31 -13.33 2 5 0 61 281.4 5

Activity (Go SEA)

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