UCSF

ZINC22938145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 35 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) 4.55 10.14 -45.81 2 6 1 63 466.609 7
Hi High (pH 8-9.5) 4.62 5.21 -9.48 1 6 0 65 465.601 7
Hi High (pH 8-9.5) 4.62 7.49 -38.66 2 6 1 66 466.609 7
Hi High (pH 8-9.5) 4.55 7.87 -14.39 1 6 0 61 465.601 7
Mid Mid (pH 6-8) 4.62 8.86 -91.87 3 6 2 68 467.617 7
Mid Mid (pH 6-8) 4.55 10.14 -51.61 2 6 1 63 466.609 7

Activity (Go SEA)

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