UCSF

ZINC70331975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 0.80 4.32 -52.11 3 5 1 68 257.383 4
Hi High (pH 8-9.5) 0.80 3.92 -8.6 2 5 0 66 256.375 4

Activity (Go SEA)

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

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