UCSF

ZINC37823850

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.21 3.86 -45.95 4 4 1 68 277.388 6
Hi High (pH 8-9.5) 2.21 4.12 -8.92 3 4 0 67 276.38 6

Activity (Go SEA)

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