UCSF

ZINC68688680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2011 20 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 3.06 -80.43 3 6 0 89 283.372 6
Hi High (pH 8-9.5) -0.07 1.69 -53.96 2 6 -1 84 282.364 6
Lo Low (pH 4.5-6) -0.07 1.08 -47.87 4 6 1 86 284.38 6

Activity (Go SEA)

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