UCSF

ZINC33811593

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 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) 3.67 9.97 -39.2 1 4 1 42 371.526 3
Hi High (pH 8-9.5) 3.67 8.11 -7.84 0 4 0 41 370.518 3

Activity (Go SEA)

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