UCSF

ZINC33678432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 27 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) 3.97 9.58 -19.74 1 5 0 62 399.438 9
Hi High (pH 8-9.5) 3.79 8.51 -38.29 0 5 -1 69 398.43 9

Activity (Go SEA)

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