UCSF

ZINC31958718

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 1.51 5.72 -61.65 4 6 1 83 325.392 6
Mid Mid (pH 6-8) 1.51 6.13 -90.86 5 6 2 85 326.4 6

Activity (Go SEA)

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