UCSF

ZINC15935393

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 20 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) 0.84 8.13 -23.41 1 7 0 85 306.376 4
Hi High (pH 8-9.5) 1.02 6.91 -55.02 0 7 -1 91 305.368 4

Activity (Go SEA)

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

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