UCSF

ZINC68898451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 22 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) 2.17 6.62 -44.58 2 5 1 74 330.518 8
Hi High (pH 8-9.5) 2.17 4.87 -14.78 1 5 0 73 329.51 8

Activity (Go SEA)

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