UCSF

ZINC42465772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.87 -2.03 -37.14 5 6 1 100 230.288 5
Hi High (pH 8-9.5) -0.87 -2.37 -11.6 4 6 0 99 229.28 5

Activity (Go SEA)

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