UCSF

ZINC32804047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 14 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) 0.86 5.04 -34.33 1 4 1 43 196.274 4
Hi High (pH 8-9.5) 0.86 2.92 -4.56 0 4 0 42 195.266 4

Activity (Go SEA)

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