UCSF

ZINC02804100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 25 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) 2.15 -4.26 -15.05 2 8 0 105 401.279 5
Hi High (pH 8-9.5) 2.15 -3.7 -48.87 1 8 -1 107 400.271 5

Activity (Go SEA)

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

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