UCSF

ZINC78931502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2012 12 Yes

Other Names:

MFCD27967413

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) -2.49 -5.32 -50.25 5 5 1 86 175.208 2
Mid Mid (pH 6-8) -2.49 -5.64 -8.6 4 5 0 85 174.2 2

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

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