UCSF

ZINC78931414

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2012 19 Yes

Other Names:

MFCD27967403

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) 0.02 -2.08 -45.72 3 7 1 98 271.293 6
Hi High (pH 8-9.5) 0.02 -3.09 -9.03 2 7 0 94 270.285 6

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

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