UCSF

ZINC48797497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 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) 4.25 3.35 -10.97 2 4 0 58 347.212 4
Hi High (pH 8-9.5) 4.25 4.1 -41.35 1 4 -1 61 346.204 4

Activity (Go SEA)

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

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