UCSF

ZINC04959369

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 18 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) 0.62 1.16 -20.71 4 7 0 114 283.338 4
Hi High (pH 8-9.5) 0.80 -0.87 -45.92 3 7 -1 120 282.33 4
Hi High (pH 8-9.5) 1.07 -0.81 -51.6 3 7 -1 117 282.33 4

Activity (Go SEA)

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