UCSF

ZINC35733730

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 13 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) 0.60 2.31 -40.6 4 3 1 57 185.291 4
Hi High (pH 8-9.5) 0.60 1.98 -6.69 3 3 0 55 184.283 4

Activity (Go SEA)

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