UCSF

ZINC32087966

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) 2.87 3.06 -49.85 4 3 1 51 328.274 3
Hi High (pH 8-9.5) 2.87 3.81 -71.29 3 3 0 54 327.266 3
Hi High (pH 8-9.5) 2.87 5.94 -47.09 3 3 0 54 327.266 3
Mid Mid (pH 6-8) 2.87 4.85 -37.82 4 3 1 51 328.274 3
Mid Mid (pH 6-8) 2.87 6.03 -130.27 4 3 1 55 328.274 3

Activity (Go SEA)

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