UCSF

ZINC49282760

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 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) 1.78 2.95 -45.56 2 5 1 63 304.823 4
Mid Mid (pH 6-8) 1.78 2.73 -33.75 1 5 0 66 303.815 4

Activity (Go SEA)

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