UCSF

ZINC65531077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 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) 2.17 5.91 -10.19 2 5 0 63 365.384 4
Lo Low (pH 4.5-6) 2.17 7.28 -55.37 3 5 1 67 366.392 4

Activity (Go SEA)

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

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