UCSF

ZINC38755102

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 27 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) 3.04 3.72 -40.34 1 7 -1 96 411.887 8
Mid Mid (pH 6-8) 3.04 3.56 -16.73 2 7 0 94 412.895 8

Activity (Go SEA)

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