UCSF

ZINC20628190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 28 Yes

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) 4.38 5.74 -16.15 2 6 0 92 416.524 7
Mid Mid (pH 6-8) 4.38 5.81 -45.14 1 6 -1 94 415.516 7

Activity (Go SEA)

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