UCSF

ZINC35887320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 4.62 13.87 -36.36 2 6 1 55 466.556 8
Mid Mid (pH 6-8) 4.62 11.68 -11.47 1 6 0 53 465.548 8

Activity (Go SEA)

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