UCSF

ZINC01387312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

Other Names:

MFCD00127456

Download: MOL2 SDF SMILES Flexibase

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) 0.16 3.53 -8.43 0 6 0 60 190.21 2
Lo Low (pH 4.5-6) 0.16 3.83 -44.44 1 6 1 61 191.218 2

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

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