UCSF

ZINC37598428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 21 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) 1.23 9.81 -44.36 1 5 0 75 352.184 5
Hi High (pH 8-9.5) 1.23 7.95 -48.91 0 5 -1 74 351.176 5

Activity (Go SEA)

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

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