UCSF

ZINC02289388

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 30 No

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) 3.12 4.06 -17.11 4 7 0 111 403.438 7
Hi High (pH 8-9.5) 3.12 4.83 -58.37 3 7 -1 114 402.43 7

Activity (Go SEA)

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

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