UCSF

ZINC20073876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.00 5.09 -94.8 4 3 2 35 227.396 3
Hi High (pH 8-9.5) 2.00 2.78 -38.52 3 3 1 34 226.388 3
Mid Mid (pH 6-8) 2.00 4.57 -121.5 4 3 2 35 227.396 3

Activity (Go SEA)

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