UCSF

ZINC44660095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 1.12 3.15 -36.42 2 3 1 29 201.334 5
Hi High (pH 8-9.5) 1.12 1.92 -2.12 1 3 0 24 200.326 5
Mid Mid (pH 6-8) 1.12 3.76 -34.37 2 3 1 26 201.334 5
Lo Low (pH 4.5-6) 1.12 4.98 -109.54 3 3 2 30 202.342 5

Activity (Go SEA)

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