UCSF

ZINC36642296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.87 9.42 -43.68 1 7 1 73 420.584 9
Hi High (pH 8-9.5) 3.87 7.13 -7.96 0 7 0 71 419.576 9

Activity (Go SEA)

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