UCSF

ZINC41651716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 3.98 8.77 -11.46 0 6 0 59 416.477 4
Lo Low (pH 4.5-6) 3.98 9.55 -51.31 1 6 0 60 417.485 4
Lo Low (pH 4.5-6) 3.98 11.64 -48.62 1 6 1 60 417.485 4

Activity (Go SEA)

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