UCSF

ZINC37795826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.71 5.84 -45.71 1 5 -1 78 250.274 5
Lo Low (pH 4.5-6) 1.71 3.86 -9.61 2 5 0 76 251.282 5

Activity (Go SEA)

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