UCSF

ZINC22143388

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) 3.05 4.08 -47 1 5 -1 86 270.33 6
Hi High (pH 8-9.5) 3.05 4.15 -115.93 0 5 -2 88 269.322 6

Activity (Go SEA)

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