UCSF

ZINC35003746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 2.53 7.85 -62.82 0 8 -1 97 452.483 9
Lo Low (pH 4.5-6) 2.53 7.11 -14.75 1 8 0 95 453.491 9

Activity (Go SEA)

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