UCSF

ZINC34978501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) -0.22 1.26 -82.66 4 4 2 45 217.357 6
Hi High (pH 8-9.5) -0.22 -2.44 -3.17 2 4 0 39 215.341 6
Mid Mid (pH 6-8) -0.22 -1.02 -38.05 3 4 1 43 216.349 6

Activity (Go SEA)

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