UCSF

ZINC22175483

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) 2.80 7.49 -138.77 4 2 2 32 252.377 4
Mid Mid (pH 6-8) 2.80 5.36 -49.03 3 2 1 31 251.369 4

Activity (Go SEA)

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