UCSF

ZINC37845942

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) 2.55 8.41 -7.8 0 4 0 38 350.26 5
Lo Low (pH 4.5-6) 2.55 8.88 -36.74 1 4 1 39 351.268 5

Activity (Go SEA)

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