UCSF

ZINC39271969

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) -0.38 2.55 -40.86 1 9 -1 110 361.817 9
Mid Mid (pH 6-8) -0.38 3.04 -20.06 2 9 0 108 362.825 8
Mid Mid (pH 6-8) -0.38 3.06 -59.38 2 9 0 112 362.825 9
Lo Low (pH 4.5-6) -0.38 4.01 -46.84 3 9 1 110 363.833 9

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

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