UCSF

ZINC22144074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 0.42 2.9 -57.67 3 5 1 60 264.349 4
Hi High (pH 8-9.5) 0.42 2.5 -11.49 2 5 0 59 263.341 4
Mid Mid (pH 6-8) 0.42 5.29 -105.31 4 5 2 62 265.357 4

Activity (Go SEA)

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