UCSF

ZINC32213219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.65 7.48 -88.98 3 5 2 39 311.47 11
Hi High (pH 8-9.5) 1.65 4.31 -40.83 2 5 1 42 310.462 11
Hi High (pH 8-9.5) 1.65 5.1 -36.69 2 5 1 38 310.462 11
Mid Mid (pH 6-8) 1.65 6.85 -97.65 3 5 2 43 311.47 11

Activity (Go SEA)

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