UCSF

ZINC41651209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.25 10.98 -11.93 0 6 0 57 458.558 4
Mid Mid (pH 6-8) 5.25 13.96 -53.03 1 6 1 58 459.566 4

Activity (Go SEA)

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