UCSF

ZINC70110427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 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) 1.30 4.47 -55.41 4 4 1 70 262.377 3
Mid Mid (pH 6-8) 1.30 4.07 -6.71 3 4 0 68 261.369 3

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

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