UCSF

ZINC37846571

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) 3.52 8.08 -44.19 2 4 1 52 280.388 9
Hi High (pH 8-9.5) 3.52 6.88 -8 1 4 0 48 279.38 9

Activity (Go SEA)

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