UCSF

ZINC01354638

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 0.88 8.01 -28.09 1 3 0 45 239.34 3
Hi High (pH 8-9.5) 0.88 6.06 -48.73 0 3 -1 43 238.332 3

Activity (Go SEA)

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