UCSF

ZINC37598552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 20 No

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) -1.30 1.39 -61.65 1 8 -1 119 281.292 7
Hi High (pH 8-9.5) -1.12 0.39 -53.22 1 8 -1 111 281.292 7
Mid Mid (pH 6-8) -1.12 2.23 -36.62 2 8 0 113 282.3 7

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

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