UCSF

ZINC39260339

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 35 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) 3.67 10.62 -38.92 1 7 1 61 475.544 6
Mid Mid (pH 6-8) 3.67 9.93 -22.55 0 7 0 59 474.536 6
Mid Mid (pH 6-8) 3.67 12.11 -66.17 1 7 1 61 475.544 6
Mid Mid (pH 6-8) 3.67 12.85 -113.71 2 7 2 62 476.552 6

Activity (Go SEA)

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