UCSF

ZINC20309122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 4.22 11.8 -81.01 2 6 0 85 464.949 7
Mid Mid (pH 6-8) 4.22 12.64 -137.86 1 6 -1 88 463.941 7

Activity (Go SEA)

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