UCSF

ZINC41664659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

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) 5.43 10.97 -12.93 0 4 0 43 403.503 4
Mid Mid (pH 6-8) 5.43 13.86 -48.19 1 4 1 44 404.511 4

Activity (Go SEA)

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