UCSF

ZINC34945074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.36 9.39 -16.09 0 8 0 75 475.545 8
Mid Mid (pH 6-8) 2.36 11.6 -60.62 1 8 1 77 476.553 8

Activity (Go SEA)

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