UCSF

ZINC12536209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 29 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) 1.47 4.81 -62.93 2 9 -1 146 415.403 7
Hi High (pH 8-9.5) 1.47 4.9 -91.06 1 9 -2 148 414.395 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.