UCSF

ZINC35520917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 No

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) 3.35 12.07 -56.37 1 3 1 25 363.453 5
Hi High (pH 8-9.5) 3.35 9.81 -13.27 0 3 0 24 362.445 5

Activity (Go SEA)

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