UCSF

ZINC34944097

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) 4.66 12.15 -11.71 1 6 0 56 490.57 9
Mid Mid (pH 6-8) 4.66 14.37 -49.19 2 6 1 57 491.578 9

Activity (Go SEA)

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