UCSF

ZINC67574575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 21 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) 1.01 5.76 -36.85 1 5 1 37 298.451 5
Hi High (pH 8-9.5) 1.01 3.54 -8.75 0 5 0 36 297.443 5
Mid Mid (pH 6-8) 1.01 7.75 -86.19 2 5 2 38 299.459 5

Activity (Go SEA)

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