UCSF

ZINC70292437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 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) 0.07 2.4 -59.09 3 5 1 66 251.354 2
Hi High (pH 8-9.5) 0.07 2.09 -8.45 2 5 0 64 250.346 2

Activity (Go SEA)

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

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