UCSF

ZINC35107308

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) -0.98 0.08 -9.97 1 6 0 70 253.302 3
Lo Low (pH 4.5-6) -0.98 2.37 -45.76 2 6 1 71 254.31 3

Activity (Go SEA)

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