UCSF

ZINC54403303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 19 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) 4.81 6.83 -6.09 3 3 0 55 298.217 3
Lo Low (pH 4.5-6) 4.81 6.92 -25.93 4 3 1 56 299.225 3

Activity (Go SEA)

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