UCSF

ZINC49216511

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 19 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) 0.34 4.45 -13.6 1 5 0 62 260.293 4
Hi High (pH 8-9.5) 1.25 2.18 -51.29 0 5 -1 65 259.285 4

Activity (Go SEA)

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