UCSF

ZINC32086688

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 3.57 8.9 -45.52 3 3 1 34 324.492 4
Mid Mid (pH 6-8) 3.57 9.58 -132.69 4 3 2 35 325.5 4

Activity (Go SEA)

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