UCSF

ZINC22169563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.75 3.77 -41.79 3 5 1 60 278.376 5
Hi High (pH 8-9.5) 0.75 3.3 -10.76 2 5 0 59 277.368 5
Mid Mid (pH 6-8) 0.75 6.03 -92.64 4 5 2 62 279.384 5

Activity (Go SEA)

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