UCSF

ZINC41650707

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) 3.32 7.47 -12.14 0 7 0 60 459.546 4
Mid Mid (pH 6-8) 3.32 9.73 -54.19 1 7 1 61 460.554 4

Activity (Go SEA)

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