UCSF

ZINC35609534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) -0.32 -2.78 -11.73 3 6 0 87 303.359 4
Lo Low (pH 4.5-6) -0.32 -0.48 -42.4 4 6 1 88 304.367 4

Activity (Go SEA)

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