UCSF

ZINC95862920

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 25 No

Other Names:

MFCD00236432

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) 1.56 5.47 -34.04 2 5 1 76 328.351 2
Hi High (pH 8-9.5) 2.02 2.92 -43.52 1 5 0 79 327.343 2

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

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