UCSF

ZINC41669205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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) 2.96 6.81 -16.46 0 7 0 74 430.46 5
Lo Low (pH 4.5-6) 2.96 7.28 -50.42 1 7 1 75 431.468 5
Lo Low (pH 4.5-6) 2.96 9.66 -62.6 1 7 1 75 431.468 5

Activity (Go SEA)

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