UCSF

ZINC05738247

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 29 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) 5.18 9.06 -13.52 1 6 0 86 408.328 7
Hi High (pH 8-9.5) 5.18 9.85 -35.69 0 6 -1 89 407.32 7

Activity (Go SEA)

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