UCSF

ZINC35638721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 26 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) 2.38 7.54 -52.66 2 6 1 63 366.526 5
Hi High (pH 8-9.5) 2.57 5.14 -40.69 1 6 0 69 365.518 5

Activity (Go SEA)

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