UCSF

ZINC13213393

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 35 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) 3.63 10.85 -144.66 1 8 -2 130 468.465 6
Mid Mid (pH 6-8) 4.08 8.83 -88.63 2 8 -1 127 469.473 5
Mid Mid (pH 6-8) 3.05 9.87 -73.51 1 8 -1 124 469.473 6

Activity (Go SEA)

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