UCSF

ZINC34948244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 3.93 10.6 -12.46 2 8 0 88 388.41 4
Mid Mid (pH 6-8) 3.93 11.02 -40.66 3 8 1 89 389.418 4

Activity (Go SEA)

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