UCSF

ZINC69924630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 No

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) 1.28 3.28 -55.88 0 7 -1 99 341.343 6
Mid Mid (pH 6-8) 1.10 5.91 -17.82 1 7 0 93 342.351 6
Mid Mid (pH 6-8) 1.10 5.83 -16.56 1 7 0 93 342.351 6

Activity (Go SEA)

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

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