UCSF

ZINC01227704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 26 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) 3.17 9.23 -45.39 1 5 1 41 358.458 6
Hi High (pH 8-9.5) 3.17 8.02 -9.44 0 5 0 40 357.45 6

Activity (Go SEA)

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