UCSF

ZINC35514699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 27 Yes

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) 4.49 9.65 -14.71 2 5 0 57 364.424 3
Lo Low (pH 4.5-6) 4.49 9.99 -27.77 3 5 1 59 365.432 3

Activity (Go SEA)

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