UCSF

ZINC27645428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 24 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) 4.42 11.69 -53.18 0 4 -1 74 335.464 10
Lo Low (pH 4.5-6) 4.42 10.57 -14.63 1 4 0 71 336.472 10

Activity (Go SEA)

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

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