UCSF

ZINC66200364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 30 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) 2.09 3.36 -99.29 0 9 -2 136 428.47 6
Lo Low (pH 4.5-6) 2.09 1.84 -61.48 1 9 -1 133 429.478 6

Activity (Go SEA)

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

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