UCSF

ZINC21956125

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 20 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) 3.77 8.15 -16.06 1 4 0 55 307.444 6
Hi High (pH 8-9.5) 3.96 7.09 -42.92 0 4 -1 61 306.436 6

Activity (Go SEA)

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