UCSF

ZINC32160573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.41 4.96 -48.19 2 5 1 68 297.4 7
Hi High (pH 8-9.5) 1.41 2.43 -16.11 1 5 0 66 296.392 7

Activity (Go SEA)

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