UCSF

ZINC21559657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 2.18 5.26 -12.71 1 6 0 74 318.354 4
Hi High (pH 8-9.5) 2.24 4.19 -43.88 0 6 -1 80 317.346 4

Activity (Go SEA)

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