UCSF

ZINC43476777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 4.01 4.87 -5.91 2 3 0 41 277.751 4
Hi High (pH 8-9.5) 4.01 5.64 -42.09 1 3 -1 44 276.743 4

Activity (Go SEA)

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