UCSF

ZINC32087890

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) 3.23 3.47 -49.55 4 3 1 51 328.274 4
Hi High (pH 8-9.5) 3.23 5.87 -28.23 3 3 0 54 327.266 4
Mid Mid (pH 6-8) 3.23 5.97 -83.61 4 3 1 55 328.274 4

Activity (Go SEA)

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