UCSF

ZINC54441447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 14 Yes

Other Names:

MFCD08234387

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) 2.94 6.08 -43.94 3 1 1 28 184.262 1
Hi High (pH 8-9.5) 2.94 5.79 -3.81 2 1 0 26 183.254 1

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

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