UCSF

ZINC35725483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 4.34 9.33 -28.78 1 7 0 92 507.435 5
Hi High (pH 8-9.5) 4.52 7.3 -61.72 0 7 -1 99 506.427 5

Activity (Go SEA)

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