UCSF

ZINC27880092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 26 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) 3.59 8.59 -7.89 1 4 0 36 351.494 5
Lo Low (pH 4.5-6) 3.59 10.79 -38.91 2 4 1 37 352.502 5

Activity (Go SEA)

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