UCSF

ZINC40546830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 0.91 2.4 -62.05 3 7 -1 110 305.236 5
Lo Low (pH 4.5-6) 0.91 2.72 -38.16 4 7 0 111 306.244 5

Activity (Go SEA)

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

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