UCSF

ZINC07893947

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2006 22 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) 3.36 5.78 -13.42 2 5 0 74 313.744 2
Hi High (pH 8-9.5) 3.82 4.03 -48.88 1 5 -1 77 312.736 2

Activity (Go SEA)

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