UCSF

ZINC32090439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 16 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) 1.42 5.05 -47.04 3 3 1 48 241.742 5
Mid Mid (pH 6-8) 1.42 4.68 -8.41 2 3 0 46 240.734 5

Activity (Go SEA)

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