UCSF

ZINC34851017

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 No

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) 4.41 12.73 -12.08 3 10 0 141 411.397 7
Mid Mid (pH 6-8) 4.41 13.48 -39.14 2 10 -1 144 410.389 7

Activity (Go SEA)

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