UCSF

ZINC43396048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.13 6.25 -106.62 4 3 2 45 263.307 6
Hi High (pH 8-9.5) 2.13 5.72 -6.78 2 3 0 42 261.291 6
Mid Mid (pH 6-8) 2.13 5.8 -55.34 3 3 1 44 262.299 6
Mid Mid (pH 6-8) 2.13 6.18 -25.61 3 3 1 43 262.299 6

Activity (Go SEA)

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