UCSF

ZINC78931332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2012 14 Yes

Other Names:

MFCD27967393

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) -1.20 -2.25 -50.42 5 4 1 81 195.242 1
Hi High (pH 8-9.5) -1.20 -2.54 -6.08 4 4 0 79 194.234 1
Lo Low (pH 4.5-6) -1.20 -1.79 -100.51 6 4 2 82 196.25 1

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

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