UCSF

ZINC86865163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 23 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) -2.73 -6.16 -40.15 6 9 1 134 333.361 2
Hi High (pH 8-9.5) -2.73 -7.31 -11.66 5 9 0 130 332.353 2
Mid Mid (pH 6-8) -2.73 -4.87 -109.15 7 9 2 139 334.369 2

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

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