UCSF

ZINC45701059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.58 6.24 -93.37 3 4 2 41 245.411 8
Hi High (pH 8-9.5) 0.58 5.09 -38.33 2 4 1 37 244.403 8

Activity (Go SEA)

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