UCSF

ZINC41663150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 3.32 7.47 -11.77 0 6 0 55 406.482 4
Lo Low (pH 4.5-6) 3.32 8.22 -54.49 1 6 0 56 407.49 4

Activity (Go SEA)

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