UCSF

ZINC42433341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) -2.19 -0.83 -23 3 7 0 106 239.231 2
Hi High (pH 8-9.5) -1.73 -3.56 -63.63 2 7 -1 109 238.223 2
Mid Mid (pH 6-8) -1.73 -2.75 -45.55 2 7 -1 109 238.223 2

Activity (Go SEA)

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