UCSF

ZINC34947424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.35 8.96 -6.22 1 2 0 27 249.337 1
Mid Mid (pH 6-8) 3.81 8.83 -19.86 1 2 0 29 244.297 0

Activity (Go SEA)

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