UCSF

ZINC20055006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 19 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) 1.56 3.89 -46.62 3 5 1 64 267.349 9
Hi High (pH 8-9.5) 1.56 2.49 -10.78 2 5 0 60 266.341 9

Activity (Go SEA)

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