UCSF

ZINC22043885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.88 2.31 -41.46 3 3 1 40 253.391 4
Hi High (pH 8-9.5) 0.88 0.96 -5.14 2 3 0 35 252.383 4

Activity (Go SEA)

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