UCSF

ZINC36705045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 34 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) 5.97 12.94 -17.86 0 5 0 46 471.626 7
Lo Low (pH 4.5-6) 5.97 15.2 -63.61 1 5 1 47 472.634 7

Activity (Go SEA)

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