UCSF

ZINC43400829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) -0.07 3.13 -33.82 4 4 1 68 205.285 2
Hi High (pH 8-9.5) -0.07 3.15 -5.87 3 4 0 66 204.277 2
Lo Low (pH 4.5-6) -0.07 3.51 -85.26 5 4 2 69 206.293 2

Activity (Go SEA)

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