UCSF

ZINC37834849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.74 6.04 -72.58 1 7 0 85 283.328 4
Hi High (pH 8-9.5) -0.74 3.65 -54.17 0 7 -1 84 282.32 4
Lo Low (pH 4.5-6) -0.74 4.13 -50.47 2 7 1 82 284.336 4

Activity (Go SEA)

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