UCSF

ZINC57872841

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 18 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) 3.63 9.76 -54.4 1 2 1 28 267.755 2
Mid Mid (pH 6-8) 3.63 7.8 -7.26 0 2 0 27 266.747 2

Activity (Go SEA)

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