UCSF

ZINC35281425

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 0.42 4.36 -66.54 2 6 -1 104 283.348 5
Lo Low (pH 4.5-6) 0.42 1.98 -12.89 3 6 0 101 284.356 5

Activity (Go SEA)

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