UCSF

ZINC39759641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 3.57 11.59 -12.86 0 8 0 77 491.617 9
Mid Mid (pH 6-8) 3.57 13.81 -51.99 1 8 1 78 492.625 9

Activity (Go SEA)

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