UCSF

ZINC35659467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 1.22 4.34 -96.71 4 3 2 35 227.396 5
Hi High (pH 8-9.5) 1.22 2.09 -41.41 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 1.22 3.89 -114.44 4 3 2 35 227.396 5

Activity (Go SEA)

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