UCSF

ZINC26484066

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 24 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) 3.39 9.08 -42.55 2 4 1 43 392.317 7
Hi High (pH 8-9.5) 3.39 6.78 -10.65 1 4 0 42 391.309 7

Activity (Go SEA)

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