UCSF

ZINC08034118

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 20 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) 2.37 2.45 -47.98 0 8 -1 124 289.3 4
Lo Low (pH 4.5-6) 2.37 2.75 -11.05 1 8 0 122 290.308 4

Activity (Go SEA)

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