UCSF

ZINC22167743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 1.44 4.31 -117.4 4 4 2 51 254.374 6
Hi High (pH 8-9.5) 1.44 4.22 -30.22 3 4 1 49 253.366 6
Mid Mid (pH 6-8) 1.44 2.4 -44.29 3 4 1 49 253.366 6

Activity (Go SEA)

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