UCSF

ZINC07057175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 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) 3.54 -3.14 -10.51 1 5 0 64 386.267 5
Hi High (pH 8-9.5) 3.54 -2.64 -41.62 0 5 -1 66 385.259 5

Activity (Go SEA)

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