UCSF

ZINC37109817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.08 2.41 -106.18 4 3 2 35 227.396 4
Hi High (pH 8-9.5) 1.08 3.45 -32.63 3 3 1 34 226.388 4
Hi High (pH 8-9.5) 1.08 -0.13 -41.14 3 3 1 34 226.388 4
Mid Mid (pH 6-8) 1.08 2.45 -113.71 4 3 2 35 227.396 4
Lo Low (pH 4.5-6) 1.08 5.22 -208.37 5 3 3 37 228.404 4

Activity (Go SEA)

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