UCSF

ZINC29064790

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 20 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) 2.00 6.57 -52.39 2 5 1 56 292.384 6
Hi High (pH 8-9.5) 2.00 4.24 -18.05 1 5 0 54 291.376 6
Mid Mid (pH 6-8) 1.82 5.5 -34.8 1 5 0 62 291.376 6

Activity (Go SEA)

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