UCSF

ZINC03164838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 28 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) 3.44 10.54 -21.25 1 10 0 143 400.372 7
Hi High (pH 8-9.5) 3.63 7.99 -37.28 0 10 -1 149 399.364 7

Activity (Go SEA)

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