UCSF

ZINC69704922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 3.33 7.89 -38.58 1 2 1 14 305.261 4
Hi High (pH 8-9.5) 3.33 5.63 -2.66 0 2 0 12 304.253 4

Activity (Go SEA)

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