UCSF

ZINC41655295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 5.10 11.88 -12.16 0 7 0 89 442.471 6
Lo Low (pH 4.5-6) 5.10 14.74 -62.27 1 7 1 90 443.479 6

Activity (Go SEA)

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