UCSF

ZINC95944492

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2014 31 Yes

Other Names:

MFCD00235891

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) 5.49 14.91 -50.78 2 5 -1 92 422.545 14
Mid Mid (pH 6-8) 5.49 15.25 -81.94 3 5 0 94 423.553 14
Lo Low (pH 4.5-6) 5.49 13.28 -53.5 4 5 1 91 424.561 14

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

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