UCSF

ZINC19342948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 14 Yes

Other Names:

MFCD08667752

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) 1.54 3.13 -47.94 3 2 1 31 211.354 3
Mid Mid (pH 6-8) 1.54 4.97 -29.92 3 2 1 30 211.354 3
Lo Low (pH 4.5-6) 1.54 5.32 -120.6 4 2 2 32 212.362 3

Activity (Go SEA)

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

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