UCSF

ZINC36810068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 1.69 6.37 -6.45 3 5 0 75 274.368 2
Lo Low (pH 4.5-6) 1.69 6.87 -34.38 4 5 1 76 275.376 2

Activity (Go SEA)

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