UCSF

ZINC55564317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 22 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) 2.11 2.84 -47.96 0 5 -1 82 342.393 4
Mid Mid (pH 6-8) 2.11 2.43 -17.02 1 5 0 80 343.401 4

Activity (Go SEA)

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