UCSF

ZINC68850088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 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) 2.75 9.02 -55.37 0 5 -1 71 266.28 2
Lo Low (pH 4.5-6) 2.75 8.03 -45.6 1 5 0 72 267.288 2

Activity (Go SEA)

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

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