UCSF

ZINC21787432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 0.65 5.42 -68.97 1 6 -1 87 256.241 4
Lo Low (pH 4.5-6) 0.65 5.87 -75.38 2 6 0 88 257.249 4

Activity (Go SEA)

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