UCSF

ZINC35135809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) 1.38 4.47 -105.34 4 4 2 50 229.368 6
Hi High (pH 8-9.5) 1.38 3.29 -38.32 3 4 1 46 228.36 6
Mid Mid (pH 6-8) 1.38 2.23 -40.71 3 4 1 49 228.36 6

Activity (Go SEA)

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