UCSF

ZINC31975578

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) 2.67 6.91 -54.31 3 4 1 54 282.367 4
Hi High (pH 8-9.5) 2.67 6.54 -11.38 2 4 0 53 281.359 4
Mid Mid (pH 6-8) 2.67 7.33 -101.45 4 4 2 55 283.375 4

Activity (Go SEA)

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