UCSF

ZINC07684772

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2006 22 No

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) 3.36 6.65 -43.37 3 5 1 63 326.848 7
Hi High (pH 8-9.5) 3.18 3.62 -49.35 1 5 -1 68 324.832 7
Hi High (pH 8-9.5) 3.36 4.65 -13.36 2 5 0 61 325.84 7

Activity (Go SEA)

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