UCSF

ZINC70096431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 17 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) -0.25 2.28 -44.26 3 5 1 66 237.327 4
Hi High (pH 8-9.5) -0.25 1.83 -6.36 2 5 0 64 236.319 4
Lo Low (pH 4.5-6) -0.25 4.21 -122.31 4 5 2 67 238.335 4

Activity (Go SEA)

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

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