UCSF

ZINC53149538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 25 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) 3.22 11.27 -48.63 1 5 1 49 344.431 10
Mid Mid (pH 6-8) 3.22 9.04 -11.9 0 5 0 48 343.423 10

Activity (Go SEA)

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