UCSF

ZINC00517397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 No

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) 4.60 6.02 -9.76 2 5 0 67 338.407 5
Hi High (pH 8-9.5) 4.60 6.84 -44.28 1 5 -1 70 337.399 5
Hi High (pH 8-9.5) 4.60 6.78 -56.42 1 5 -1 70 337.399 5
Mid Mid (pH 6-8) 4.60 6.19 -7.73 2 5 0 67 338.407 5

Activity (Go SEA)

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