UCSF

ZINC42059656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 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) 1.20 1.16 -19.01 3 6 0 87 360.233 6
Hi High (pH 8-9.5) 1.39 -1.5 -51.38 2 6 -1 94 359.225 6

Activity (Go SEA)

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