UCSF

ZINC85343607

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2013 12 Yes

Other Names:

MFCD00005564

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.18 -8.85 -42.48 3 7 -1 116 166.12 0
Mid Mid (pH 6-8) -1.11 -11.45 -101.06 2 7 -2 123 165.112 0
Lo Low (pH 4.5-6) -1.63 -6.96 -10.33 4 7 0 113 167.128 0

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

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