UCSF

ZINC37817156

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.85 4.61 -39.39 3 4 1 61 264.393 6
Hi High (pH 8-9.5) 1.85 5.72 -6.5 2 4 0 59 263.385 6
Lo Low (pH 4.5-6) 1.85 5.36 -85.37 4 4 2 62 265.401 6

Activity (Go SEA)

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