UCSF

ZINC18186640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 24 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) 3.70 7.86 -10.97 1 4 0 45 357.504 6
Lo Low (pH 4.5-6) 3.70 8.61 -88.19 2 4 0 46 358.512 6

Activity (Go SEA)

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