UCSF

ZINC43897231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.13 7.6 -89 3 3 2 24 263.429 5
Hi High (pH 8-9.5) 2.13 5.72 -33.6 2 3 1 20 262.421 5
Hi High (pH 8-9.5) 2.13 5.9 -32.98 2 3 1 20 262.421 5
Mid Mid (pH 6-8) 2.13 8.34 -97.31 3 3 2 21 263.429 5
Lo Low (pH 4.5-6) 2.13 9.49 -208.4 4 3 3 25 264.437 5

Activity (Go SEA)

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