UCSF

ZINC37779724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.38 6 -11.07 2 4 0 54 283.375 5
Lo Low (pH 4.5-6) 2.38 6.48 -44.17 3 4 1 55 284.383 5

Activity (Go SEA)

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