UCSF

ZINC08715515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 21 Yes

Other Names:

MFCD07758119

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) 3.18 4.41 -47.66 0 6 -1 83 301.351 4
Lo Low (pH 4.5-6) 2.73 5.81 -12.95 1 6 0 80 302.359 4

Activity (Go SEA)

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

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