UCSF

ZINC22629124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 29 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) 2.15 5.43 -23.85 3 8 0 117 429.527 8
Hi High (pH 8-9.5) 2.61 4.31 -59.31 2 8 -1 120 428.519 8

Activity (Go SEA)

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