UCSF

ZINC19823758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 2.35 7.54 -32.88 1 2 1 8 219.352 2
Hi High (pH 8-9.5) 2.35 5.56 -2.24 0 2 0 6 218.344 2
Mid Mid (pH 6-8) 2.35 9.49 -107.49 2 2 2 9 220.36 2

Activity (Go SEA)

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