UCSF

ZINC31975582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.33 7.34 -55.68 3 4 1 54 282.367 5
Hi High (pH 8-9.5) 3.33 6.96 -12.61 2 4 0 53 281.359 5
Mid Mid (pH 6-8) 3.33 7.76 -104.31 4 4 2 55 283.375 5

Activity (Go SEA)

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