UCSF

ZINC22752558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.75 10.38 -42.18 3 6 1 80 484.617 10
Hi High (pH 8-9.5) 4.75 8 -44.75 1 6 -1 81 482.601 10
Mid Mid (pH 6-8) 4.75 10.44 -47.66 2 6 0 82 483.609 10

Activity (Go SEA)

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