UCSF

ZINC35888216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 4.59 12.66 -50.49 2 4 1 46 393.58 4
Hi High (pH 8-9.5) 4.59 11.35 -6.55 1 4 0 41 392.572 4

Activity (Go SEA)

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