UCSF

ZINC37829992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.77 8.46 -61.91 0 5 -1 70 284.376 8
Lo Low (pH 4.5-6) 1.77 6.49 -14.74 1 5 0 67 285.384 8

Activity (Go SEA)

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