UCSF

ZINC43971824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 1.85 4.41 -37.51 2 4 1 38 271.425 6
Hi High (pH 8-9.5) 1.85 3.66 -1.88 1 4 0 34 270.417 6
Mid Mid (pH 6-8) 1.85 5.41 -33.43 2 4 1 35 271.425 6

Activity (Go SEA)

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