UCSF

ZINC32088427

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) 1.32 3.11 -104.49 5 5 2 65 329.872 5
Mid Mid (pH 6-8) 1.32 3.91 -112.97 4 5 1 68 328.864 5
Lo Low (pH 4.5-6) 1.32 2.83 -141.84 5 5 2 65 329.872 5

Activity (Go SEA)

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