UCSF

ZINC88462999

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2013 12 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) -4.43 -3.27 -81.06 9 6 1 145 175.212 5
Hi High (pH 8-9.5) -4.43 -3.6 -59.13 8 6 0 144 174.204 5
Mid Mid (pH 6-8) -4.43 -2.98 -168.72 10 6 2 147 176.22 5

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

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