UCSF

ZINC37911980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 10 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) -0.80 1.09 -44.49 3 3 1 48 143.21 1
Hi High (pH 8-9.5) -0.80 0.69 -8.52 2 3 0 46 142.202 1

Activity (Go SEA)

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