UCSF

ZINC43971589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.65 7.19 -32.47 2 3 1 29 283.48 5
Hi High (pH 8-9.5) 3.65 6.54 -1.14 1 3 0 24 282.472 5
Mid Mid (pH 6-8) 3.65 8.63 -29.96 2 3 1 26 283.48 5

Activity (Go SEA)

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