UCSF

ZINC30769930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 1.00 5.13 -47.01 3 5 1 60 278.376 3
Mid Mid (pH 6-8) 1.00 2.72 -9.56 2 5 0 59 277.368 3

Activity (Go SEA)

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