UCSF

ZINC70005253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 21 No

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) 0.76 4.78 -39.88 2 6 1 63 312.415 9
Hi High (pH 8-9.5) 0.76 2.6 -10.98 1 6 0 62 311.407 9

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

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