UCSF

ZINC14009341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 25 No

Other Names:

MFCD03861890

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) 3.12 5.76 -11.75 2 6 0 84 379.199 3
Ref Reference (pH 7) 3.12 6.27 -9.8 2 6 0 84 379.199 3
Hi High (pH 8-9.5) 3.12 7.13 -38.88 1 6 -1 87 378.191 3

Activity (Go SEA)

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

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