UCSF

ZINC32133669

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.72 9.85 -40.29 2 2 1 16 287.402 6
Mid Mid (pH 6-8) 3.72 9.08 -46.74 2 2 1 20 287.402 6
Mid Mid (pH 6-8) 3.72 7.76 -3.46 1 2 0 15 286.394 6
Lo Low (pH 4.5-6) 3.72 11.27 -133.53 3 2 2 21 288.41 6

Activity (Go SEA)

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