UCSF

ZINC70199892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 0.62 4.64 -59.99 1 8 -1 113 308.343 8
Lo Low (pH 4.5-6) 0.62 2.66 -23.85 2 8 0 110 309.351 8

Activity (Go SEA)

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

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