UCSF

ZINC31943412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 Yes

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) 5.48 13.21 -12.97 0 3 0 42 331.463 5
Mid Mid (pH 6-8) 5.48 13.64 -34.59 1 3 1 43 332.471 5

Activity (Go SEA)

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