UCSF

ZINC41362162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 13 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) 0.32 2.32 -35.55 2 4 1 43 187.263 4
Hi High (pH 8-9.5) 0.32 -0.07 -7.74 1 4 0 42 186.255 4

Activity (Go SEA)

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