UCSF

ZINC21529396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 25 Yes

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) 5.23 10.14 -54.26 2 4 1 50 390.941 3
Hi High (pH 8-9.5) 4.37 7.44 -42.5 0 4 -1 52 388.925 4
Mid Mid (pH 6-8) 4.37 9.78 -53.55 1 4 0 53 389.933 4
Mid Mid (pH 6-8) 4.30 8.55 -12.25 1 4 0 45 389.933 4

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

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