UCSF

ZINC41586747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.82 7.27 -9.72 0 6 0 55 434.536 5
Mid Mid (pH 6-8) 3.82 10.15 -52.39 1 6 1 56 435.544 5
Mid Mid (pH 6-8) 3.82 9.54 -47.13 1 6 1 56 435.544 5
Lo Low (pH 4.5-6) 3.82 12.42 -125.75 2 6 2 58 436.552 5

Activity (Go SEA)

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