UCSF

ZINC23283461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 1.78 4.3 -42.86 2 3 1 29 239.383 5
Lo Low (pH 4.5-6) 1.78 6.7 -111.31 3 3 2 30 240.391 5

Activity (Go SEA)

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