UCSF

ZINC35103206

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) -0.25 -4.63 -40.93 2 6 -1 98 210.213 3
Lo Low (pH 4.5-6) -0.71 -2.78 -9.5 3 6 0 95 211.221 3

Activity (Go SEA)

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