UCSF

ZINC43411187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.01 4.4 -32.56 2 3 1 29 217.377 9
Hi High (pH 8-9.5) 2.01 2.5 -1.42 1 3 0 24 216.369 9
Mid Mid (pH 6-8) 2.01 6.38 -102.84 3 3 2 30 218.385 9
Mid Mid (pH 6-8) 2.01 5.13 -27.71 2 3 1 26 217.377 9

Activity (Go SEA)

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