UCSF

ZINC06691898

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 21 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) -2.43 9.01 -214.37 0 8 -3 141 294.239 6
Lo Low (pH 4.5-6) -2.43 7.03 -109.69 1 8 -2 138 295.247 6

Activity (Go SEA)

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