UCSF

ZINC05380275

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 18 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) 3.81 9.02 -54.61 0 3 -1 52 238.266 3
Lo Low (pH 4.5-6) 3.81 9.37 -58.79 1 3 0 54 239.274 3

Activity (Go SEA)

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