UCSF

ZINC41651686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 4.45 9.58 -8.91 0 5 0 46 392.499 4
Mid Mid (pH 6-8) 4.45 11.97 -45.47 1 5 1 47 393.507 4
Lo Low (pH 4.5-6) 4.45 12.73 -107.16 2 5 0 48 394.515 4

Activity (Go SEA)

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