UCSF

ZINC49092575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) -0.25 2.61 -50.45 3 7 1 80 268.341 7
Hi High (pH 8-9.5) -0.25 0.54 -23.57 2 7 0 79 267.333 7

Activity (Go SEA)

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