UCSF

ZINC26156084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 33 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) -0.34 -0.96 -58.46 6 10 1 141 459.523 5
Hi High (pH 8-9.5) -0.34 -3.24 -16.55 5 10 0 140 458.515 5

Activity (Go SEA)

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