UCSF

ZINC38580017

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 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) 3.34 9.32 -12.84 1 7 0 73 305.773 3
Lo Low (pH 4.5-6) 3.34 9.48 -29.38 2 7 1 75 306.781 3

Activity (Go SEA)

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

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