UCSF

ZINC35003930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 No

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) 3.08 8.55 -61.44 0 8 -1 97 466.51 10
Lo Low (pH 4.5-6) 3.08 7.8 -16.58 1 8 0 95 467.518 10

Activity (Go SEA)

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