UCSF

ZINC32070733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 2.91 5.93 -52.45 3 3 1 34 314.428 4
Mid Mid (pH 6-8) 2.91 7.87 -135.02 4 3 2 35 315.436 4

Activity (Go SEA)

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