UCSF

ZINC49992032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 21 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) 1.06 9.23 -56.34 1 4 -1 69 288.367 5
Lo Low (pH 4.5-6) 1.25 8.39 -32.43 2 4 0 74 289.375 5

Activity (Go SEA)

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