UCSF

ZINC39228094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.18 3.67 -11.71 3 6 0 81 383.835 3
Mid Mid (pH 6-8) 3.18 5.72 -38.24 4 6 1 82 384.843 3

Activity (Go SEA)

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