UCSF

ZINC36189952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 No

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) 0.04 6.14 -32.24 4 5 1 70 248.354 3
Hi High (pH 8-9.5) 0.04 2.93 -34.19 4 5 1 71 248.354 3
Hi High (pH 8-9.5) 0.04 3.93 -6.84 3 5 0 69 247.346 3
Mid Mid (pH 6-8) 0.04 5.07 -86.4 5 5 2 72 249.362 3

Activity (Go SEA)

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