UCSF

ZINC32088134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 2.29 1.88 -49.38 4 5 1 64 328.436 5
Hi High (pH 8-9.5) 2.29 2.66 -51.47 3 5 0 66 327.428 5
Mid Mid (pH 6-8) 2.29 3.74 -129.61 5 5 2 65 329.444 5

Activity (Go SEA)

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