UCSF

ZINC07941552

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 25 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) 4.24 11.37 -37.42 2 3 1 34 377.892 5
Hi High (pH 8-9.5) 4.24 9.18 -5.86 1 3 0 32 376.884 5

Activity (Go SEA)

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