UCSF

ZINC32141289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.77 6.94 -44.25 3 3 1 37 289.374 6
Hi High (pH 8-9.5) 2.77 4.71 -7.56 2 3 0 35 288.366 6
Mid Mid (pH 6-8) 2.77 5.04 -48.72 3 3 1 40 289.374 6
Lo Low (pH 4.5-6) 2.77 7.56 -138.99 4 3 2 41 290.382 6

Activity (Go SEA)

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