UCSF

ZINC27922952

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 16 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) 2.44 4.82 -13.68 1 4 0 51 301.165 3
Hi High (pH 8-9.5) 2.63 3.76 -38.5 0 4 -1 58 300.157 3

Activity (Go SEA)

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