UCSF

ZINC36766109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 4.77 8.65 -5.22 3 3 0 55 346.272 3
Lo Low (pH 4.5-6) 4.77 8.74 -32.5 4 3 1 56 347.28 3

Activity (Go SEA)

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