UCSF

ZINC43401024

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 No

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) -0.08 4.39 -36.81 4 4 1 68 237.352 2
Mid Mid (pH 6-8) -0.08 5.44 -7.63 3 4 0 66 236.344 2
Lo Low (pH 4.5-6) -0.08 4.82 -94.18 5 4 2 69 238.36 2

Activity (Go SEA)

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