UCSF

ZINC13404787

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 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) 2.10 7.18 -52.53 1 5 -1 82 307.376 4
Hi High (pH 8-9.5) 2.17 5.26 -114.76 0 5 -2 88 306.368 4

Activity (Go SEA)

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

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