UCSF

ZINC36770984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.68 4.24 -128.68 4 4 2 48 278.444 6
Hi High (pH 8-9.5) 0.68 4.26 -37.52 3 4 1 47 277.436 6
Hi High (pH 8-9.5) 0.68 4.6 -111.86 4 4 2 48 278.444 6
Mid Mid (pH 6-8) 0.68 2.39 -44.04 3 4 1 47 277.436 6
Lo Low (pH 4.5-6) 0.68 5.07 -176.77 5 4 3 49 279.452 6

Activity (Go SEA)

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