UCSF

ZINC59514615

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 36 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) 4.25 4.1 -59.8 1 9 -1 134 523.568 7
Mid Mid (pH 6-8) 4.25 3.66 -21.09 2 9 0 132 524.576 7

Activity (Go SEA)

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

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