UCSF

ZINC05921660

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 No

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) 2.50 6.07 -51.85 1 8 -1 124 367.337 6
Mid Mid (pH 6-8) 1.92 6.01 -21.68 1 8 0 118 368.345 6
Mid Mid (pH 6-8) 2.95 4.97 -27.99 2 8 0 121 368.345 5

Activity (Go SEA)

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