UCSF

ZINC09242230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 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) 6.18 0.38 -17.92 0 5 0 55 471.969 6
Lo Low (pH 4.5-6) 6.18 0.5 -54.6 1 5 1 56 472.977 6

Activity (Go SEA)

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