UCSF

ZINC35863667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 25 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) 1.51 4.31 -9.32 0 5 0 42 358.36 4
Mid Mid (pH 6-8) 1.51 6.62 -45.98 1 5 1 43 359.368 4

Activity (Go SEA)

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