UCSF

ZINC69897629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 2.22 8.18 -58.88 2 5 1 57 313.425 4
Hi High (pH 8-9.5) 2.22 7.02 -10.36 1 5 0 52 312.417 4

Activity (Go SEA)

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

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