UCSF

ZINC43328015

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

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) 3.35 8.48 -105.47 7 6 2 105 412.663 16
Mid Mid (pH 6-8) 3.35 8.15 -53.43 6 6 1 103 411.655 16

Activity (Go SEA)

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