UCSF

ZINC34934407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 26 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) 3.43 5.3 -6.94 2 6 0 65 401.338 5
Mid Mid (pH 6-8) 3.43 7.63 -45.64 3 6 1 66 402.346 5

Activity (Go SEA)

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