UCSF

ZINC70513328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.86 4.01 -41.26 3 4 1 49 279.404 6
Hi High (pH 8-9.5) 1.86 2.92 -3.82 2 4 0 45 278.396 6
Lo Low (pH 4.5-6) 1.86 3.52 -57.77 3 4 0 46 279.404 6
Lo Low (pH 4.5-6) 1.86 4.57 -129.39 4 4 0 51 280.412 6

Activity (Go SEA)

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