UCSF

ZINC22145327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 3.72 10.14 -41.46 2 2 1 16 283.439 8
Hi High (pH 8-9.5) 3.72 7.8 -2.74 1 2 0 15 282.431 8
Mid Mid (pH 6-8) 3.72 8.8 -37.42 2 2 1 20 283.439 8
Mid Mid (pH 6-8) 3.72 11.33 -122.55 3 2 2 21 284.447 8

Activity (Go SEA)

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