UCSF

ZINC37828281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.42 9 -72.72 0 6 -1 87 296.343 5
Lo Low (pH 4.5-6) 1.42 7.01 -20.11 1 6 0 84 297.351 5

Activity (Go SEA)

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