UCSF

ZINC37102836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.36 9.8 -35.9 2 3 1 43 278.416 7
Hi High (pH 8-9.5) 4.36 10.19 -4.85 1 3 0 38 277.408 7

Activity (Go SEA)

Rings

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