UCSF

ZINC43968832

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) 2.03 3.87 -34.34 2 3 1 29 217.377 9
Hi High (pH 8-9.5) 2.03 2.8 -1.73 1 3 0 24 216.369 9
Mid Mid (pH 6-8) 2.03 4.69 -28.67 2 3 1 26 217.377 9

Activity (Go SEA)

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