UCSF

ZINC32052276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 1.34 5.58 -86.33 4 4 2 45 293.455 7
Hi High (pH 8-9.5) 1.34 3.11 -43.51 3 4 1 43 292.447 7
Mid Mid (pH 6-8) 1.34 7.85 -163.17 5 4 3 46 294.463 7

Activity (Go SEA)

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