UCSF

ZINC33121038

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 3.69 9.05 -50.92 3 7 1 86 487.69 9
Hi High (pH 8-9.5) 3.69 7.63 -14.24 2 7 0 82 486.682 9
Hi High (pH 8-9.5) 3.69 9.12 -68.32 2 7 0 88 486.682 9

Activity (Go SEA)

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