UCSF

ZINC32004314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 6.43 8.9 -3.54 1 1 0 20 295.209 2
Mid Mid (pH 6-8) 6.43 9.56 -37.41 0 1 -1 23 294.201 2

Activity (Go SEA)

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