UCSF

ZINC69682798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 14 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) 1.26 4.08 -4.73 0 2 0 20 191.274 1
Lo Low (pH 4.5-6) 1.26 6.14 -36.64 1 2 1 22 192.282 1

Activity (Go SEA)

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

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