UCSF

ZINC32050732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 20 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) -0.61 4.05 -92.93 4 6 2 70 286.42 8
Hi High (pH 8-9.5) -0.61 0.44 -10.32 2 6 0 65 284.404 8
Mid Mid (pH 6-8) -0.61 2.66 -42.43 3 6 1 66 285.412 8

Activity (Go SEA)

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