UCSF

ZINC35003754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 3.87 10.27 -59.71 0 8 -1 97 500.527 9
Lo Low (pH 4.5-6) 3.87 9.51 -15.4 1 8 0 95 501.535 9

Activity (Go SEA)

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