UCSF

ZINC35013705

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 5.39 11.41 -136.72 4 2 2 33 344.587 6
Hi High (pH 8-9.5) 5.39 10.19 -42.85 3 2 1 29 343.579 6
Hi High (pH 8-9.5) 5.39 10.22 -38.15 3 2 1 29 343.579 6

Activity (Go SEA)

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