UCSF

ZINC07738667

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 27 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) 3.54 4.91 -11.94 3 6 0 89 363.417 4
Hi High (pH 8-9.5) 3.54 5.75 -37.01 2 6 -1 92 362.409 4

Activity (Go SEA)

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