UCSF

ZINC16601566

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 30 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) 5.00 11.13 -12.23 1 5 0 60 457.748 5
Lo Low (pH 4.5-6) 5.00 11.41 -48.32 2 5 1 61 458.756 5

Activity (Go SEA)

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