UCSF

ZINC40865776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) -1.68 -2.52 -109.29 8 5 2 105 239.319 6
Hi High (pH 8-9.5) -1.68 -3.17 -8.8 6 5 0 101 237.303 6
Mid Mid (pH 6-8) -1.68 -2.86 -52.02 7 5 1 103 238.311 6

Activity (Go SEA)

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