UCSF

ZINC31958847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 2.66 7.77 -64.07 4 5 1 74 331.399 3
Mid Mid (pH 6-8) 2.66 8.15 -93.94 5 5 2 75 332.407 3
Mid Mid (pH 6-8) 2.66 7.38 -19.57 3 5 0 72 330.391 3

Activity (Go SEA)

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