UCSF

ZINC19884091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 1.39 8.83 -79.74 1 6 0 78 365.433 7
Lo Low (pH 4.5-6) 1.39 8 -55.97 2 6 1 75 366.441 7

Activity (Go SEA)

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