UCSF

ZINC36436662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 37 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) 3.10 7.95 -62.5 4 8 1 108 525.695 9
Hi High (pH 8-9.5) 3.10 6.67 -20.52 3 8 0 104 524.687 9

Activity (Go SEA)

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