UCSF

ZINC55904106

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.37 11.08 -45.44 2 4 1 47 349.454 8
Mid Mid (pH 6-8) 3.37 8.74 -9.76 1 4 0 45 348.446 8

Activity (Go SEA)

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