UCSF

ZINC69187481

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 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) -1.05 6.94 -37.7 2 7 0 100 309.395 8
Hi High (pH 8-9.5) -1.05 5.88 -50.05 1 7 -1 96 308.387 8

Activity (Go SEA)

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

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