UCSF

ZINC32146340

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) 0.86 3.2 -54.06 3 6 1 80 291.327 6
Mid Mid (pH 6-8) 0.86 2.82 -13.77 2 6 0 78 290.319 6

Activity (Go SEA)

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