UCSF

ZINC70197761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 1.93 7.77 -53.68 1 5 -1 74 291.352 7
Lo Low (pH 4.5-6) 1.93 5.79 -17.17 2 5 0 71 292.36 7

Activity (Go SEA)

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

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