UCSF

ZINC10519461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 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) 3.60 -1.99 -12.86 1 4 0 55 317.439 2
Lo Low (pH 4.5-6) 3.60 -1.95 -37.81 2 4 1 56 318.447 2

Activity (Go SEA)

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

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