UCSF

ZINC66136672

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 32 Yes

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) 6.56 14.93 -11.52 0 3 0 33 422.572 5
Mid Mid (pH 6-8) 6.56 15.58 -31.04 1 3 1 34 423.58 5

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

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