UCSF

ZINC39699969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 36 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 1.44 -23.67 3 11 0 135 520.608 12
Mid Mid (pH 6-8) 1.51 3.71 -59.18 4 11 1 137 521.616 12

Activity (Go SEA)

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