UCSF

ZINC43982066

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 1.61 5.11 -109.03 3 3 2 24 217.401 8
Hi High (pH 8-9.5) 1.61 3.61 -32.52 2 3 1 23 216.393 8
Hi High (pH 8-9.5) 1.61 5.1 -34.33 2 3 1 20 216.393 8
Mid Mid (pH 6-8) 1.61 6.22 -89.77 3 3 2 24 217.401 8
Lo Low (pH 4.5-6) 1.61 7.58 -210.34 4 3 3 25 218.409 8

Activity (Go SEA)

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