UCSF

ZINC32087726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) 2.71 5.77 -47.58 3 4 1 49 327.876 7
Mid Mid (pH 6-8) 2.71 8.05 -119.09 4 4 2 51 328.884 7

Activity (Go SEA)

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