UCSF

ZINC35839756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 1.32 4.91 -48.38 2 8 1 83 431.557 10
Mid Mid (pH 6-8) 1.32 2.65 -11.97 1 8 0 82 430.549 10

Activity (Go SEA)

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