UCSF

ZINC01266781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 23 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) 0.48 4.79 -17.29 2 7 0 105 314.297 3
Lo Low (pH 4.5-6) 0.48 5.27 -36.97 3 7 1 106 315.305 3

Activity (Go SEA)

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