UCSF

ZINC05888155

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 4.58 12.39 -11.59 1 4 0 46 345.377 3
Lo Low (pH 4.5-6) 4.58 12.67 -29.93 2 4 1 48 346.385 3

Activity (Go SEA)

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