UCSF

ZINC27891104

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 31 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) 3.39 10.73 -16.67 1 5 0 53 415.537 4
Lo Low (pH 4.5-6) 3.39 12.86 -52.86 2 5 1 54 416.545 4

Activity (Go SEA)

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