UCSF

ZINC41651105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 3.62 7.55 -14.79 0 8 0 69 503.599 6
Mid Mid (pH 6-8) 3.62 9.81 -54.99 1 8 1 71 504.607 6

Activity (Go SEA)

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