UCSF

ZINC43379698

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 22 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) 3.99 8.42 -10.85 3 6 0 90 305.426 9
Lo Low (pH 4.5-6) 3.99 8.69 -33.94 4 6 1 91 306.434 9

Activity (Go SEA)

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