UCSF

ZINC20054919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 1.95 5.66 -40.6 3 3 1 46 233.335 3
Hi High (pH 8-9.5) 1.95 5.31 -8.02 2 3 0 41 232.327 3

Activity (Go SEA)

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