UCSF

ZINC36637526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 3.98 9.39 -47.6 1 6 1 56 426.971 7
Hi High (pH 8-9.5) 3.98 6.58 -9.49 0 6 0 55 425.963 7

Activity (Go SEA)

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