UCSF

ZINC70188377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 20 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) 0.04 3.28 -95.2 5 6 2 81 284.404 5
Hi High (pH 8-9.5) 0.04 1.05 -48.71 4 6 1 80 283.396 5

Activity (Go SEA)

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

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