UCSF

ZINC00612652

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Other Names:

MFCD00047350

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) -1.04 6.16 -32.4 5 7 1 110 220.26 3
Mid Mid (pH 6-8) -1.04 5.69 -10.25 4 7 0 109 219.252 3

Vendor Notes

Note Type Comments Provided By
MP 253 TCI

Activity (Go SEA)

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

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