UCSF

ZINC42850974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 41 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) 7.63 18.36 -97.7 0 6 -2 107 568.795 7
Lo Low (pH 4.5-6) 7.63 16.63 -46.61 1 6 -1 104 569.803 7

Activity (Go SEA)

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