UCSF

ZINC39124452

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 17 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) 2.31 4.72 -11.78 1 4 0 55 232.283 3
Hi High (pH 8-9.5) 2.31 5.49 -50.45 0 4 -1 58 231.275 3

Activity (Go SEA)

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