UCSF

ZINC70333846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 4.44 6.12 -7.71 2 3 0 49 305.805 2
Hi High (pH 8-9.5) 4.44 6.88 -45.69 1 3 -1 52 304.797 2

Activity (Go SEA)

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

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