UCSF

ZINC32054111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) -2.17 0.92 -72.96 4 7 0 117 271.317 7
Hi High (pH 8-9.5) -2.17 -1.43 -51.24 3 7 -1 116 270.309 7

Activity (Go SEA)

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