UCSF

ZINC09189451

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 24 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) 1.51 8.93 -45.15 1 7 -1 97 347.42 7
Ref Reference (pH 7) 1.51 8.9 -47.15 1 7 -1 97 347.42 7
Mid Mid (pH 6-8) 1.51 9.05 -61.48 2 7 0 98 348.428 7
Mid Mid (pH 6-8) 1.51 9.02 -68.43 2 7 0 98 348.428 7

Activity (Go SEA)

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