UCSF

ZINC02086128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 29 Yes

Other Names:

MFCD01470052

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) 6.36 -1.58 -10.22 1 4 0 51 406.551 5
Hi High (pH 8-9.5) 6.36 -1 -47.91 0 4 -1 53 405.543 5

Activity (Go SEA)

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

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