UCSF

ZINC20131123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 30 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) 0.66 7.02 -55.4 3 8 0 124 410.426 5
Hi High (pH 8-9.5) 0.66 5.81 -56.94 2 8 -1 119 409.418 5

Activity (Go SEA)

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