UCSF

ZINC60697112

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 15 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) 2.48 5.07 -38.31 3 2 1 37 208.325 5
Hi High (pH 8-9.5) 2.48 4.78 -2.94 2 2 0 35 207.317 5

Activity (Go SEA)

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