UCSF

ZINC39553734

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.22 10.09 -24.37 1 7 0 86 398.536 5
Hi High (pH 8-9.5) 3.29 8.33 -60.97 0 7 -1 92 397.528 5

Activity (Go SEA)

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