UCSF

ZINC03869815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 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) -1.56 -7.65 -140.94 3 11 -2 171 329.209 4
Lo Low (pH 4.5-6) -4.65 -7.51 -145.52 4 11 -1 173 330.217 4

Activity (Go SEA)

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