UCSF

ZINC35269806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 34 No

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) 3.70 10.89 -61.57 0 7 -1 92 458.49 10
Lo Low (pH 4.5-6) 3.70 10.13 -16.72 1 7 0 89 459.498 10

Activity (Go SEA)

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