UCSF

ZINC35155805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 31 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) 4.74 11.66 -23.31 1 6 0 75 436.581 9
Hi High (pH 8-9.5) 4.92 10.42 -56.85 0 6 -1 82 435.573 9

Activity (Go SEA)

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