UCSF

ZINC02803868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 23 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) 0.68 -2.11 -20.66 1 8 0 94 336.352 5
Hi High (pH 8-9.5) 0.68 -1.55 -52.93 0 8 -1 96 335.344 5

Activity (Go SEA)

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

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