UCSF

ZINC02803888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 24 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) 1.80 -3.14 -20.31 1 8 0 94 387.252 5
Hi High (pH 8-9.5) 1.80 -2.57 -53.45 0 8 -1 96 386.244 5

Activity (Go SEA)

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

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