UCSF

ZINC32049172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) -2.19 2.41 -58.44 2 7 0 92 276.333 11
Mid Mid (pH 6-8) -2.19 -0.01 -45.77 1 7 -1 91 275.325 11

Activity (Go SEA)

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