UCSF

ZINC40045189

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 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) 5.26 14.04 -11.73 0 6 0 73 452.51 6
Mid Mid (pH 6-8) 5.26 14.36 -30.59 1 6 1 74 453.518 6

Activity (Go SEA)

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