UCSF

ZINC39113755

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 2.05 5.1 -31.43 1 2 1 8 171.308 4
Hi High (pH 8-9.5) 2.05 2.83 -1.09 0 2 0 6 170.3 4

Activity (Go SEA)

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