UCSF

ZINC36978775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 0.07 5.56 -58.31 1 7 -1 107 297.331 10
Lo Low (pH 4.5-6) 0.07 3.58 -20.06 2 7 0 104 298.339 10

Activity (Go SEA)

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